Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4353066 | 0.94 | CYP19A1 (0.47) | CYP19A1CYP11B1CYP11B2ABCG2ABCB1 | |
| SCHEMBL31274989 | 0.83 | CYP19A1 (0.61) | CYP19A1CYP11B1CYP11B2CA12CA1 | |
| SCHEMBL6200155 | 0.83 | CYP19A1 (0.61) | CYP19A1CYP11B1CYP11B2CA12CA1 | |
| SCHEMBL8390404 | 0.82 | GABRA1 (0.50) | CYP19A1CYP11B1CYP11B2CA12CA1 | |
| SCHEMBL28797135 | 0.81 | HDAC3 (0.41) | CYP19A1CYP11B1CYP11B2HIPK2NPC1 | |
| SCHEMBL4149676 | 0.80 | HIPK2 (0.44) | HIPK2NPC1RAB9AKDM4ERAPGEF3 | |
| SCHEMBL1415273 | 0.79 | CES2 (0.55) | NPC1RAB9AKDM4EGABRA1GABRG2 | |
| SCHEMBL27850053 | 0.79 | ALDH1A1 (0.53) | CYP19A1CYP11B1CYP11B2CA12CA1 | |
| SCHEMBL5744947 | 0.79 | RAB9A (0.52) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1871973 | 0.78 | HSD17B10 (0.53) | CA12CA1CA2CA9CA14 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102378574-A | Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof | TRANSTECH PHARMA INC | 2012-03-14 | — | — | CN | disclosed |
| EP-2413693-A1 | SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | TransTech Pharma, Inc (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114824-A1 | SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | TRANSTECH PHARMA INC (US) | 2010-10-07 | — | — | WO | disclosed |
| US-4396619-A | ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1983-08-02 | — | — | US | disclosed |
| US-4382932-A | Isoquinolinium substituted cephalosporins | ELI LILLY AND COMPANY (US) | 1983-05-10 | — | — | US | disclosed |