Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.48 |
| ▸ | MAOA | P21397 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2184383 | 0.82 | MAOB (0.43) | CYP19A1MAOBMAOAMAPTCYP3A4 | |
| SCHEMBL2183578 | 0.82 | CYP19A1 (0.43) | CYP19A1MAOBMAOANPC1MAPT | |
| SCHEMBL12470562 | 0.81 | ALDH1A1 (0.58) | CYP19A1NPC1ALDH1A1TDP1 | |
| SCHEMBL8321871 | 0.77 | MAOB (0.60) | CYP19A1MAOBMAOANPC1MAPT | |
| SCHEMBL8038746 | 0.77 | CYP19A1 (0.54) | CYP19A1MAOBMAOANPC1MAPT | |
| SCHEMBL1935522 | 0.77 | MAOB (0.54) | CYP19A1MAOBMAOACYP3A4CASP1 | |
| SCHEMBL2184106 | 0.77 | ALDH1A1 (0.44) | CYP19A1MAOBMAOANPSR1ALDH1A1 | |
| SCHEMBL2184753 | 0.77 | NPSR1 (0.47) | CYP19A1MAOBMAOANPSR1CA1 | |
| SCHEMBL8818539 | 0.76 | MAOB (0.48) | CYP19A1MAOBMAOAMAPTCYP3A4 | |
| SCHEMBL19860765 | 0.76 | MAOB (0.58) | CYP19A1MAOBMAOANPC1MAPT |
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-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |