Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL16376660 | 0.82 | ESR1 (0.55) | CYP19A1MAOBADORA3KDM4EAR | |
| SCHEMBL18885280 | 0.79 | CYP19A1 (0.47) | CYP19A1MAOBADORA3KDM4EAR | |
| SCHEMBL21371327 | 0.79 | CYP19A1 (0.47) | CYP19A1MAOBADORA3KDM4EAR | |
| SCHEMBL29963529 | 0.79 | RET (0.49) | CYP19A1MAOBADORA3KDM4EAR | |
| SCHEMBL501137 | 0.79 | RET (0.49) | CYP19A1MAOBADORA3KDM4EAR | |
| SCHEMBL11741033 | 0.78 | S100A4 (0.56) | CYP19A1MAOBADORA3KDM4EAR | |
| SCHEMBL14926094 | 0.74 | ESR1 (0.51) | CYP19A1MAOBADORA3KDM4EAR | |
| SCHEMBL11254869 | 0.74 | CYP19A1 (0.48) | CYP19A1MAOBADORA3KDM4EAR | |
| SCHEMBL5889384 | 0.74 | ALDH1A1 (0.53) | CYP19A1MAOBADORA3KDM4EAR | |
| SCHEMBL10516436 | 0.74 | RET (0.50) | CYP19A1MAOBADORA3KDM4EAR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009049214-A2 | INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS | NORTHWESTERN UNIVERSITY (US) | 2009-04-16 | — | — | WO | disclosed |