Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12326164 | 0.87 | ALDH1A1 (0.59) | CYP3A4HPGDPTPN1ALDH1A1KMT2A | |
| Methoxymethane SCHEMBL11527276 | 0.85 | CYP3A4 (0.50) | CYP3A4ALDH1A1TP53SMN1; SMN2NPC1 | |
| SCHEMBL476694 | 0.82 | CYP3A4 (0.58) | CYP3A4HPGDALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL9543808 | 0.80 | CYP3A4 (0.50) | CYP3A4HPGDPTPN1ALDH1A1TP53 | |
| SCHEMBL13898129 | 0.80 | CYP3A4 (0.50) | CYP3A4HPGDPTPN1ALDH1A1TP53 | |
| SCHEMBL22106546 | 0.80 | ALDH1A1 (0.50) | CYP3A4HPGDPTPN1ALDH1A1KMT2A | |
| SCHEMBL3047027 | 0.77 | CYP3A4 (0.56) | CYP3A4HPGDPTPN1ALDH1A1ABL1 | |
| Flamenol SCHEMBL69428 | 0.76 | CYP3A4 (0.62) | CYP3A4HPGDPTPN1ALDH1A1TP53 | |
| SCHEMBL233829 | 0.76 | ALDH1A1 (0.69) | CYP3A4HPGDPTPN1ALDH1A1TP53 | |
| SCHEMBL12586702 | 0.76 | CYP3A4 (0.77) | CYP3A4HPGDPTPN1ALDH1A1SMN1; SMN2 |
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-4158027-A | BIPHENOL DERIVATIVES USED AS POLYMERIZATION INHIBITORS | ICI AMERICAS INC. (US) | 1979-06-12 | — | — | US | disclosed |
| US-4112019-A | BISPHENOL POLYMERIZATION INHIBITOR | ICI AMERICAS INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4049731-A | VINYL MONOMERS, BIPHENOL DERIVATIVE AS POLYMERIZATION INHIBITOR | ICI UNITED STATES INC. (US) | 1977-09-20 | — | — | US | disclosed |