Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL9312427 | 0.93 | TYR (0.45) | TYRTAAR1KDM4EADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL28062049 | 0.87 | TYR (0.52) | TYRTAAR1KDM4EADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL3646130 | 0.87 | TYR (0.52) | TYRTAAR1KDM4EADRA2AADRA2C | |
| Formamide SCHEMBL29161087 | 0.87 | TYR (0.64) | TYRKDM4ELMNAHIF1ACYP2D6 | |
| Isopropylbenzene SCHEMBL27303816 | 0.85 | TYR (0.50) | TYRTAAR1KDM4EADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL27707501 | 0.85 | TYR (0.50) | TYRKDM4EADRA2AADRA2CLMNA | |
| Isopropylbenzene SCHEMBL28324070 | 0.85 | TYR (0.50) | TYRTAAR1KDM4EADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL27370050 | 0.84 | TAAR1 (0.52) | TAAR1KDM4EADRA2AADRA2CLMNA | |
| Isopropylbenzene SCHEMBL27499737 | 0.84 | TAAR1 (0.52) | TAAR1KDM4EADRA2AADRA2CLMNA | |
| Isopropylbenzene SCHEMBL8431863 | 0.84 | TAAR1 (0.50) | TAAR1KDM4EADRA2AADRA2CLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106631957-B | A kind of antitumoral compounds and the preparation method and application thereof targeting FAP-alpha enzyme | 广州药本君安医药科技股份有限公司 | 2019-05-14 | — | — | CN | claimed |
| CN-109476669-A | Lim kinase inhibitor | 富荣吉有限责任公司 | 2019-03-15 | — | — | CN | disclosed |