Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL109206 | 0.83 | TSHR (0.63) | TSHRHTTALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL29571304 | 0.83 | TSHR (0.63) | TSHRHTTALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL29870373 | 0.81 | BRD4 (0.61) | TSHRHTTALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL162019 | 0.81 | TSHR (0.61) | TSHRHTTALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL1737254 | 0.81 | BRD4 (0.61) | TSHRHTTALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL6043587 | 0.81 | TSHR (0.61) | TSHRHTTALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL1807370 | 0.81 | TDP1 (0.55) | TSHRHTTALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL12897074 | 0.80 | TSHR (0.59) | TSHRHTTALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL49913 | 0.80 | POLB (0.66) | TSHRHTTALDH1A1L3MBTL1POLB | |
| Hydrochloric Acid SCHEMBL4990673 | 0.80 | TSHR (0.59) | TSHRHTTALDH1A1HSD17B10L3MBTL1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104945316-B | A kind of method of microwave method synthesis 2- halos nicotinate and its intermediate | 山东师范大学 | 2018-05-04 | — | — | CN | claimed |
| CN-104945317-B | A kind of method of supercritical ultrasonics technology synthesis 2- halos nicotinate and its intermediate | 山东师范大学 | 2018-03-30 | — | — | CN | claimed |
| CN-107540605-A | For hair or the choline ester type compound of scalp care | 李明霞 | 2018-01-05 | — | — | CN | claimed |
| CN-106349157-B | A kind of method of hydro-thermal method synthesis 2- halogenated nicotinate and the halogenated niacin of 2- | 山东华阳农药化工集团有限公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-107540605-A | For hair or the choline ester type compound of scalp care | 李明霞 | 2018-01-05 | — | — | CN | disclosed |
| CN-106349157-A | Method using hydrothermal method to synthesize 2-halogeneated nicotinate and 2-halogeneated nicotinic acid | 山东华阳农药化工集团有限公司 | 2017-01-25 | — | — | CN | disclosed |
| US-6992094-B1 | Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2006-01-31 | — | — | US | disclosed |
| US-20060014803-A1 | Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2006-01-19 | — | — | US | disclosed |
| US-5672710-A | SPECIFIC AGONISTS FOR THE RXR RETINOID RECEPTOR RATHER THAN THE RAR ONE; SIDE EFFECT REDUCTION; SKIN AND NERVOUS SYTEM DISORDERS; ANTICARCINOGENIC AGENTS; VISION DEFECTS | ALLERGAN (US) | 1997-09-30 | — | — | US | disclosed |
| US-5670456-A | Compounds | SANDOZ LTD. (CH) | 1997-09-23 | — | — | US | disclosed |
| WO-1997016422-A1 | SULFIDES, SULFOXIDES AND SULFONES DISUBSTITUTED WITH A TETRAHYDRONAPHTHALENYL, CHROMANYL, THIOCHROMANYL OR TETRAHYDROQUINOLINYL AND SUBSTITUTED PHENYL OR HETEROARYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1997-05-09 | — | — | WO | disclosed |
| US-5506191-A | Heterocyclic hydrazines and hydrazones | SANDOZ LTD. (CH) | 1996-04-09 | — | — | 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-20060014803-A1 | Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics | TYR, DERL1, GPX1 | TSHR 2188/4885HTT 536/4885ALDH1A1 118/4885 |
“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.