Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | ADK | P55263 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11532663 | 0.92 | CYP19A1 (0.68) | CYP19A1AHRCYP3A4CYP3A5KIF11 | |
| SCHEMBL11536872 | 0.90 | CYP19A1 (0.54) | CYP19A1ALDH1A1TSHRAHRCYP3A4 | |
| SCHEMBL11537316 | 0.88 | CYP19A1 (0.62) | CYP19A1CFTRGOPCKMT2AMTOR | |
| SCHEMBL6090949 | 0.87 | CYP19A1 (0.64) | CYP19A1TSHRCYP3A4CFTRGOPC | |
| SCHEMBL11535325 | 0.84 | CYP19A1 (0.62) | CYP19A1KIF11CYP2D6SCN2AFPR2 | |
| SCHEMBL11532100 | 0.84 | CYP19A1 (0.62) | CYP19A1ALDH1A1TSHRCYP3A4KIF11 | |
| SCHEMBL11534840 | 0.84 | CYP19A1 (0.88) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL11535106 | 0.80 | CYP19A1 (0.70) | CYP19A1CYP3A4 | |
| SCHEMBL11533065 | 0.78 | CYP19A1 (0.66) | CYP19A1KIF11 | |
| SCHEMBL697452 | 0.78 | CYP19A1 (0.49) | CYP19A1AHRKIF11TRPV6FPR2 |
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-4152441-A | Analgesic imidazolemethanols | GIST-BROCADES N.V. (NL) | 1979-05-01 | — | — | US | claimed |
| US-4152441-A | Analgesic imidazolemethanols | GIST-BROCADES N.V. (NL) | 1979-05-01 | — | — | US | disclosed |