Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.54 |
| ▸ | MAOA | P21397 | 4/20 | 0.54 |
| ▸ | MAOB | P27338 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8418939 | 0.87 | CYP19A1 (0.50) | CYP19A1MAOAMAOBCYP3A4CASP1 | |
| SCHEMBL5329182 | 0.84 | CYP19A1 (0.47) | CYP19A1MAOAMAOBCYP3A4CASP1 | |
| SCHEMBL2187122 | 0.83 | ALDH1A1 (0.37) | MAOAMAOBNPC1TP53ALDH1A1 | |
| SCHEMBL16167423 | 0.81 | CYP19A1 (0.59) | CYP19A1MAOAMAOBCYP3A4CASP1 | |
| SCHEMBL7546214 | 0.81 | CYP19A1 (0.59) | CYP19A1MAOAMAOBCYP3A4CASP1 | |
| SCHEMBL27258312 | 0.80 | CYP19A1 (0.52) | CYP19A1MAOAMAOBCYP3A4CASP1 | |
| SCHEMBL27848544 | 0.78 | CYP19A1 (0.50) | CYP19A1MAOAMAOBCYP3A4CASP1 | |
| SCHEMBL8670587 | 0.77 | CYP19A1 (0.48) | CYP19A1MAOAMAOBCYP3A4CASP1 | |
| SCHEMBL5592348 | 0.76 | — | — | |
| SCHEMBL245731 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000079312-A1 | HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS | BAUSCH & LOMB SURGICAL, INC. (US) | 2000-12-28 | — | — | WO | claimed |
| US-5686486-A | 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections | PHARMACIA & UPJOHN COMPANY (US) | 1997-11-11 | — | — | US | disclosed |