Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 7/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14160109 | 0.89 | CYP17A1 (0.38) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Bis(4-Hydroxyphenyl)Methanol SCHEMBL3642317 | 0.87 | CYP3A4 (0.62) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL23627369 | 0.82 | ESR1 (0.46) | CYP3A4ESR1ESR2PDCD1CD274 | |
| SCHEMBL5514 | 0.81 | — | — | |
| SCHEMBL10715675 | 0.81 | ALOX15 (0.61) | CYP3A4ESR1ESR2HIF1ANFKB1 | |
| SCHEMBL24238297 | 0.80 | SMN1; SMN2 (0.48) | TSHRKDM4ELMNAMAPTMEN1 | |
| SCHEMBL9440341 | 0.78 | HTR2A (0.42) | APPKDM4ELMNAALDH1A1KMT2A | |
| SCHEMBL6509954 | 0.78 | CYP17A1 (0.32) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL14160116 | 0.78 | MLKL (0.40) | CYP3A4TSHRTDP1LMNAKMT2A | |
| SCHEMBL11575593 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5276037-A | Antiinflammatory agents, antiallergens | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-01-04 | — | — | US | disclosed |
| US-5272173-A | 5-lipoxygenase inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-21 | — | — | US | disclosed |
| US-5225438-A | Lipoxygenase inhibitors for antiinflammatory agents or antiallergens | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-07-06 | — | — | US | disclosed |
| EP-0488602-A1 | Aryl derivatives | ZENECA LIMITED (GB) | 1992-06-03 | — | — | EP | disclosed |