Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 7/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 2/20 | 0.36 |
| ▸ | FLT4 | P35916 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30444590 | 0.79 | KMT2A (0.41) | CYP3A4TDP1TP53TSHRHSD17B10 | |
| SCHEMBL28507834 | 0.79 | KMT2A (0.41) | CYP3A4TDP1TP53TSHRHSD17B10 | |
| SCHEMBL9854456 | 0.78 | CYP3A4 (0.52) | CYP3A4TDP1TSHRCYP2A6ESR1 | |
| SCHEMBL29518446 | 0.78 | CYP3A4 (0.52) | CYP3A4TDP1TSHRCYP2A6ESR1 | |
| SCHEMBL12265492 | 0.76 | HSD17B10 (0.45) | CYP3A4TDP1TP53TSHRHSD17B10 | |
| 2,4-Dichlorophenol SCHEMBL28355012 | 0.76 | HSD17B10 (0.65) | CYP3A4TDP1TP53TSHRHSD17B10 | |
| SCHEMBL2159642 | 0.76 | CYP3A4 (0.41) | CYP3A4TDP1TSHRCYP2A6SMN1; SMN2 | |
| SCHEMBL31158056 | 0.76 | CYP3A4 (0.50) | CYP3A4TDP1TSHRCYP2A6ESR1 | |
| SCHEMBL29996019 | 0.76 | CYP3A4 (0.50) | CYP3A4TDP1TSHRCYP2A6ESR1 | |
| SCHEMBL29672644 | 0.76 | CYP3A4 (0.50) | CYP3A4TDP1TSHRCYP2A6ESR1 |
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-5066781-A | Reduced crystallization times | BAYER AKTIENGESELLSCHAFT (DE) | 1991-11-19 | — | — | US | disclosed |
| US-5010169-A | Low melting point; electronics | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-23 | — | — | US | disclosed |
| EP-0339424-A2 | Polyarylene sulphides containing phosphine groups | BAYER AG (DE) | 1989-11-02 | — | — | EP | disclosed |