Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.49 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540956 | 0.79 | SRD5A2 (0.58) | SLC1A3SLC1A2SLC1A1SRD5A1SRD5A2 | |
| SCHEMBL29376113 | 0.79 | METAP1 (0.57) | SLC1A3SLC1A2SLC1A1SRD5A1SRD5A2 | |
| SCHEMBL28126153 | 0.79 | METAP1 (0.57) | SLC1A3SLC1A2SLC1A1SRD5A1SRD5A2 | |
| SCHEMBL40823 | 0.79 | METAP1 (0.57) | SLC1A3SLC1A2SLC1A1SRD5A1SRD5A2 | |
| Ammonia Solution, Strong SCHEMBL28144371 | 0.77 | METAP1 (0.55) | SLC1A3SLC1A2SLC1A1SRD5A1SRD5A2 | |
| SCHEMBL27619851 | 0.77 | METAP1 (0.55) | SLC1A3SLC1A2SLC1A1SRD5A1SRD5A2 | |
| SCHEMBL5048102 | 0.76 | RAB9A (0.79) | SLC1A3SLC1A2SLC1A1SRD5A1SRD5A2 | |
| Sulfuric Acid SCHEMBL19149045 | 0.76 | METAP1 (0.56) | SLC1A3SLC1A2SLC1A1SRD5A1SRD5A2 | |
| SCHEMBL6536469 | 0.76 | METAP1 (0.45) | SLC1A3SLC1A2SLC1A1SRD5A1SRD5A2 | |
| SCHEMBL11808856 | 0.75 | SRD5A2 (0.62) | SLC1A3SLC1A2SLC1A1SRD5A1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105849099-A | Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) | 达纳-法伯癌症研究所股份有限公司 | 2016-08-10 | — | — | CN | disclosed |