Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4967448 | 1.00 | ALDH1A1 (0.46) | ALDH1A1NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL223592 | 0.79 | ALDH1A1 (0.60) | ALDH1A1NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL223591 | 0.79 | ALDH1A1 (0.60) | ALDH1A1NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL11404052 | 0.77 | MAPT (0.47) | ALDH1A1NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL3963294 | 0.77 | CTSD (0.42) | ALDH1A1NFKB1NPSR1KMT2AHSD17B10 | |
| SCHEMBL3954733 | 0.76 | GAA (0.57) | ALDH1A1NPC1RAB9AKMT2AKDM4E | |
| SCHEMBL6651221 | 0.74 | RAB9A (0.52) | ALDH1A1NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL18779752 | 0.72 | ALDH1A1 (0.52) | ALDH1A1NPC1NFKB1RAB9ANFKB2 | |
| Benzene SCHEMBL10426584 | 0.72 | ALDH1A1 (0.52) | ALDH1A1NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL6259235 | 0.72 | ALDH1A1 (0.52) | ALDH1A1NPC1NFKB1RAB9ANFKB2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8059591-A | — | — | None | — | — | JP | disclosed |
| CN-110467568-A | A kind of synthetic method of aryl quinoline derivatives | UNIV WENZHOU | 2019-11-19 | — | — | CN | disclosed |
| CN-110467568-A | A kind of synthetic method of aryl quinoline derivatives | UNIV WENZHOU | 2019-11-19 | — | — | CN | disclosed |
| WO-2008104474-A1 | DIAMINOPYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-04 | — | — | WO | disclosed |
| US-7119095-B2 | Pharmaceutically active compounds and methods of use thereof | DANA FARBER CANCER INSTITUTE (US) | 2006-10-10 | — | — | US | disclosed |
| US-20040242614-A1 | Pharmaceutically active compounds and methods of use thereof | DANA-FARBER CANCER INSTITUTE | 2004-12-02 | — | — | US | disclosed |
| WO-2003043979-A2 | PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF | DANA FARBER CANCER INSTITUTE (US) | 2003-05-30 | — | — | WO | disclosed |
| EP-0704429-B1 | 2-(Aryliminomethyl)-3-(disubstituted amino)acrylonitriles, a process for their preparation and their use | BAYER AG (DE) | 1998-06-10 | — | — | EP | disclosed |
| US-5629441-A | 2-(arylimino-methyl)-3-dialkylaminoacrylonitriles, a process for their preparation and their use | BAYER AKTIENGESELLSCHAFT (DE) | 1997-05-13 | — | — | US | disclosed |
| US-5629441-A | 2-(arylimino-methyl)-3-dialkylaminoacrylonitriles, a process for their preparation and their use | BAYER AKTIENGESELLSCHAFT (DE) | 1997-05-13 | — | — | US | disclosed |
| EP-0704429-A1 | 2-(Aryliminomethyl)-3-(disubstituted amino)acrylonitriles, a process for their preparation and their use | BAYER AG (DE) | 1996-04-03 | — | — | EP | disclosed |
| JP-H0859591-A | 2-(ARYLMINO-METHYL)-3-DIALKYLAMINOACRYLONITRILES, THEIR PRODUCTION AND USE THEREOF | BAYER AG | 1996-03-05 | — | — | JP | disclosed |
| US-4319024-A | ALKYLATION | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | 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-20040242614-A1 | Pharmaceutically active compounds and methods of use thereof | DHFR, DPYD, MTHFD1 | ALDH1A1 218/4885NPC1 665/4885NFKB1 3381/4885 |
“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.