Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 15/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 12/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 12/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL11961681 | 0.81 | CYP17A1 (0.41) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL10795179 | 0.81 | ALDH1A1 (0.46) | MAPTNPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL5037643 | 0.81 | CYP17A1 (0.50) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL3840210 | 0.78 | HSP90AB1 (0.45) | LMNAMAPTNPC1TP53RAB9A | |
| SCHEMBL13611413 | 0.78 | HRH3 (0.42) | LMNAMAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL16020932 | 0.78 | MAPT (0.38) | LMNAMAPTALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL82538 | 0.78 | TAAR1 (0.43) | NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| Water SCHEMBL10981448 | 0.76 | TAAR1 (0.42) | NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL13611378 | 0.75 | LTA4H (0.46) | LMNAMAPTNPC1ALDH1A1RAB9A | |
| Fluoride SCHEMBL28059937 | 0.75 | TAAR1 (0.41) | NPC1ALDH1A1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7625921-B2 | Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-01 | — | — | US | disclosed |