Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6933110 | 0.84 | CES2 (0.47) | CYP19A1AKR1C3AKR1C2CES2CES1 | |
| Ammonia Solution, Strong SCHEMBL5999466 | 0.79 | AKR1C3 (0.42) | CYP19A1SLC6A2SLC6A4SLC6A3DPP4 | |
| SCHEMBL29361168 | 0.76 | SLC6A2 (0.78) | CYP19A1SLC6A2SLC6A4SLC6A3CYP11B1 | |
| Ammonia Solution, Strong SCHEMBL6000329 | 0.74 | CYP17A1 (0.58) | CYP19A1SLC6A2SLC6A4SLC6A3DPP4 | |
| SCHEMBL11538836 | 0.73 | CYP19A1 (1.00) | CYP19A1SLC6A2SLC6A4SLC6A3CYP11B1 | |
| SCHEMBL940290 | 0.69 | CYP19A1 (0.60) | CYP19A1SLC6A2SLC6A4SLC6A3CYP11B1 | |
| SCHEMBL14242084 | 0.69 | CYP19A1 (0.63) | CYP19A1SLC6A2SLC6A4SLC6A3CYP11B1 | |
| SCHEMBL10460892 | 0.69 | CYP19A1 (0.60) | CYP19A1SLC6A2SLC6A4SLC6A3CYP11B1 | |
| SCHEMBL7440699 | 0.68 | KMT2A (0.42) | CYP19A1SLC6A2SLC6A4SLC6A3DPP4 | |
| SCHEMBL28193191 | 0.67 | CES2 (0.45) | AKR1C3AKR1C2CES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5057524-A | Asthma, dermatitis | A. H. ROBINS COMPANY INCORPORATED (US) | 1991-10-15 | — | — | US | disclosed |
| US-4950674-A | Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment | A. H. ROBINS COMPANY, INCORPORATED (US) | 1990-08-21 | — | — | US | disclosed |