Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 6/20 | 0.67 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.48 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.48 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL13036041 | 0.86 | RPS6KA3 (0.67) | RPS6KA3MAPK14CSNK1DCSNK1ECYP17A1 | |
| SCHEMBL2421428 | 0.82 | RPS6KA3 (0.57) | RPS6KA3MAPK14CYP17A1NPY5RNPC1 | |
| SCHEMBL18132621 | 0.79 | RPS6KA3 (0.46) | RPS6KA3SLC22A12AKR1C3AKR1C2IDO1 | |
| SCHEMBL31619092 | 0.77 | RPS6KA3 (0.59) | RPS6KA3SLC22A12NPC1RAB9ACYP2A6 | |
| SCHEMBL15344109 | 0.77 | RPS6KA3 (0.52) | RPS6KA3CYP17A1SLC22A12NPY5RNPC1 | |
| SCHEMBL6727975 | 0.76 | RPS6KA3 (0.69) | RPS6KA3MAPK14CYP17A1SLC22A12 | |
| SCHEMBL3641153 | 0.76 | MAPK14 (0.50) | RPS6KA3MAPK14CSNK1DCSNK1ENPC1 | |
| SCHEMBL13829512 | 0.76 | ACHE (0.46) | RPS6KA3MAPK14CSNK1DCSNK1ENPC1 | |
| SCHEMBL7116024 | 0.75 | RPS6KA3 (0.64) | RPS6KA3MAPK14CYP17A1SLC22A12 | |
| SCHEMBL6732685 | 0.74 | RPS6KA3 (0.56) | RPS6KA3MAPK14CYP17A1SLC22A12AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9464096-B2 | Therapeutic compounds | GILEAD SCIENCES, INC. (US) | 2016-10-11 | — | — | US | disclosed |