Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 6/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30117529 | 0.87 | TGFBR1 (0.64) | TGFBR1ALDH1A1PTGS1PTGS2 | |
| SCHEMBL15639333 | 0.87 | TGFBR1 (0.64) | TGFBR1ALDH1A1PTGS1PTGS2 | |
| SCHEMBL28019364 | 0.83 | TGFBR1 (0.63) | TGFBR1ALDH1A1PTGS1PTGS2NPC1 | |
| SCHEMBL28047020 | 0.83 | PTGS2 (0.56) | TGFBR1ALDH1A1PTGS1PTGS2SYK | |
| SCHEMBL15638935 | 0.81 | TGFBR1 (0.67) | TGFBR1GSK3AGSK3BALOX5APFEN1 | |
| SCHEMBL15637967 | 0.80 | TGFBR1 (0.56) | TGFBR1PTGS1PTGS2NPC1RAB9A | |
| SCHEMBL15730109 | 0.80 | TGFBR1 (0.62) | TGFBR1ALDH1A1NPC1RAB9APOLB | |
| SCHEMBL28018828 | 0.79 | TGFBR1 (0.48) | TGFBR1ALDH1A1SYKAURKBINCENP | |
| SCHEMBL18005423 | 0.79 | TGFBR1 (1.00) | TGFBR1 | |
| SCHEMBL28059253 | 0.78 | PTGS2 (0.64) | ALDH1A1PTGS1PTGS2SYKAURKB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104837832-B | GDF-8 inhibitors | 里格尔药品股份有限公司 | 2019-04-26 | — | — | CN | claimed |
| CN-104837832-A | GDF-8 inhibitors | RIGEL PHARMACEUTICALS INC | 2015-08-12 | — | — | CN | claimed |
| CN-104837832-B | GDF-8 inhibitors | 里格尔药品股份有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-106536507-A | 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use | 里格尔药品股份有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-104837832-A | GDF-8 inhibitors | RIGEL PHARMACEUTICALS INC | 2015-08-12 | — | — | CN | disclosed |