Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | VCAM1 | P19320 | 14/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.42 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.42 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28771294 | 0.87 | TSHR (0.53) | ALDH1A1VCAM1TDP1CYP3A4HPGD | |
| SCHEMBL28179842 | 0.84 | TSHR (0.46) | ALDH1A1POLBTDP1CYP3A4HPGD | |
| SCHEMBL9913587 | 0.81 | ALDH1A1 (0.53) | ALDH1A1VCAM1TDP1HIF1A | |
| SCHEMBL31023123 | 0.81 | ALDH1A1 (0.53) | ALDH1A1VCAM1TDP1HIF1A | |
| SCHEMBL27311122 | 0.81 | VCAM1 (0.51) | ALDH1A1KDM4EPOLBVCAM1TDP1 | |
| SCHEMBL27555022 | 0.80 | ALDH1A1 (0.43) | ALDH1A1KDM4EPOLBTDP1CYP3A4 | |
| SCHEMBL8790573 | 0.80 | TDP1 (0.58) | ALDH1A1POLBTDP1CYP3A4ALOX15 | |
| SCHEMBL27565845 | 0.80 | PARP1 (0.45) | ALDH1A1POLBTDP1CYP3A4HPGD | |
| SCHEMBL4520586 | 0.79 | VCAM1 (0.53) | ALDH1A1KDM4EPOLBVCAM1TDP1 | |
| SCHEMBL27304953 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4EPOLBVCAM1TDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103274945-A | Cleaning and preparing method of 4-Chloro-3,5-dinitrobenzotrifluoride | JIANGSU DAHUA CHEMICAL IND CO LTD | 2013-09-04 | — | — | CN | claimed |
| CN-103265435-A | Clean preparation method of 4-chlorine-3-nitrobenzotrifluoride | JIANGSU DAHUA CHEMICAL IND CO LTD | 2013-08-28 | — | — | CN | claimed |
| CN-103102284-A | Preparation of 4-trifluoromethyl-2, 6-dinitrobenzene salicylaldoxime derivative and its application in anticancer therapeutic drugs | NANJING UNIVERSITY OF TECHNOLOGY | 2013-05-15 | — | — | CN | claimed |
| US-20210147408-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL MYERS SQUIBB CO (US) | 2021-05-20 | — | — | US | disclosed |
| US-20210147408-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL MYERS SQUIBB CO (US) | 2021-05-20 | — | — | US | disclosed |
| CN-109320396-B | Preparation method of octafluorotoluene | 湖南有色郴州氟化学有限公司 | 2021-03-19 | — | — | CN | disclosed |
| WO-2019067702-A9 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-04-25 | — | — | WO | disclosed |
| WO-2019067702-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-04-04 | — | — | WO | disclosed |
| CN-103755572-B | A kind of trifluralin nitrated workshop section spent acid circulation use technology | JIANGSU FENGSHAN GROUP CO., LTD. (CN) | 2016-03-02 | — | — | CN | disclosed |
| CN-104926691-A | Preparation method of 2-nitro-4-trifluoromethylbenzonitrile | JIANGSU AGROCHEM LAB CO LTD | 2015-09-23 | — | — | CN | disclosed |
| CN-103274945-A | Cleaning and preparing method of 4-Chloro-3,5-dinitrobenzotrifluoride | JIANGSU DAHUA CHEMICAL IND CO LTD | 2013-09-04 | — | — | CN | disclosed |
| CN-1051313-C | 5-arylindole derivatives | PFIZER (US) | 2000-04-12 | — | — | CN | disclosed |
| CN-1038749-C | Dibenz [b,f] [1,4] oxazepin-11(10H)-ones for multidrug resistance reversing agents | BRISTOL MYERS SQUIBB CO (US) | 1998-06-17 | — | — | CN | disclosed |
| CN-1161334-A | Novel substd. guanidine derivs., process for prodn. thereof, and pharmaceutical uses thereof | SUMITOMO PHARMA (JP) | 1997-10-08 | — | — | CN | disclosed |
| CN-1152918-A | Novel amido quinoxaline diones, their preparation and use | BASF AG (DE) | 1997-06-25 | — | — | CN | disclosed |
| CN-1094727-A | The 5-(hetero) aryl indole derivatives | PFIZER (US) | 1994-11-09 | — | — | CN | disclosed |
| CN-1025855-C | Process and intermediates for prepation of oxophthalazinyl acetic acids and analogs thereof | PFIZER (US) | 1994-09-07 | — | — | CN | disclosed |
| CN-1072679-A | INDOLE DERIVATIVES | PFIZER (US) | 1993-06-02 | — | — | CN | disclosed |
| CN-1069731-A | Dibenzo [b, f] [1,4] oxygen azepine -11 (10H) ketone that is used for multiple drug resistance reversal agent | BRISTOL MYERS SQUIBB CO (US) | 1993-03-10 | — | — | CN | disclosed |
| CN-1047499-A | The method and the intermediate that prepare oxo phthalazinyl acetate and homologue | PFIZER (US) | 1990-12-05 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20210147408-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | LGALS3, LGALS1, LGALS3BP | ALDH1A1 2893/4885KDM4E 3932/4885POLB 4830/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.