Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1050096 | 0.86 | ENPP3 (0.32) | KDM4ECYP2A6ALDH1A1HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL5153699 | 0.81 | KDM4E (0.35) | KDM4ECYP2A6ALDH1A1TSHRCYP1A2 | |
| SCHEMBL5352026 | 0.78 | — | — | |
| SCHEMBL5359556 | 0.78 | GSTP1 (0.35) | KDM4EALDH1A1RAB9A | |
| SCHEMBL7074507 | 0.77 | CYP2A6 (0.33) | KDM4ECYP2A6ALDH1A1TSHRCYP1A2 | |
| SCHEMBL5003147 | 0.76 | — | — | |
| SCHEMBL1050872 | 0.75 | — | — | |
| SCHEMBL60641 | 0.75 | PDCD1 (0.31) | — | |
| SCHEMBL7599322 | 0.74 | — | — | |
| SCHEMBL5359656 | 0.73 | GABRA1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6177376-B1 | REACTING METALLOCENE WITH ORGANOLITHIUM COMPOUND AND GRIGNARD COMPOUND, ACTIVATION, CONTACTING WITH SUPPORT | TARGOR GMBH (DE) | 2001-01-23 | — | — | US | disclosed |