Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 3/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008026 | 0.87 | SLC6A4 (0.49) | ALDH1A1DUSP3SLC6A4MCHR1IMPDH2 | |
| SCHEMBL19538916 | 0.82 | ALDH1A1 (0.40) | ALDH1A1DUSP3PGRBRD4CREBBP | |
| SCHEMBL19538910 | 0.78 | CACNA1H (0.45) | ALDH1A1PGRBRD4CREBBPSLC6A4 | |
| SCHEMBL29282169 | 0.78 | GPR84 (0.48) | ALDH1A1DUSP3PGRBRD4CREBBP | |
| SCHEMBL17680914 | 0.77 | PGR (0.42) | ALDH1A1DUSP3PGRBRD4CREBBP | |
| SCHEMBL20604909 | 0.77 | PGR (0.42) | ALDH1A1DUSP3PGRBRD4CREBBP | |
| SCHEMBL13806380 | 0.77 | PGR (0.42) | ALDH1A1PGRBRD4CREBBPSLC6A4 | |
| SCHEMBL5432983 | 0.76 | ALDH1A1 (0.57) | ALDH1A1PGRBRD4CREBBPSLC6A4 | |
| SCHEMBL13888165 | 0.76 | CDK2 (0.44) | ALDH1A1IMPDH2GPR84 | |
| SCHEMBL18509197 | 0.76 | LMNA (0.46) | PGRGPR84SCN9A |
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-2016055028-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2016-04-14 | — | — | WO | disclosed |