Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5603370 | 0.86 | CYP1A2 (0.38) | CYP1A2CYP2D6HRH4MAPK1KDM4E | |
| SCHEMBL5537457 | 0.80 | HDAC4 (0.36) | KDM4EMAPTHDAC2THRBLIMK1 | |
| SCHEMBL5601017 | 0.79 | CYP1A2 (0.40) | CYP1A2CYP2D6HRH4MAPK1KDM4E | |
| SCHEMBL5601908 | 0.73 | CYP1A2 (0.40) | CYP1A2CYP2D6HRH4MAPK1TRPA1 | |
| SCHEMBL5601023 | 0.73 | BRD4 (0.37) | CYP1A2CYP2D6MAPK1KDM4ETRPA1 | |
| SCHEMBL25520 | 0.72 | TRPA1 (0.52) | CYP1A2CYP2D6HRH4MAPK1KDM4E | |
| SCHEMBL5602277 | 0.70 | HTR2A (0.37) | CYP1A2CYP2D6TRPA1BCL2L1GPR55 | |
| SCHEMBL3999154 | 0.70 | IDO1 (0.39) | MAPK1ALDH1A1NPC1RAB9AMETAP2 | |
| SCHEMBL5601488 | 0.69 | MAOA (0.45) | CYP1A2CYP2D6TRPA1 | |
| SCHEMBL5603137 | 0.69 | GABRA1 (0.36) | CYP1A2CYP2D6MAPK1TRPA1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | claimed |
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |