Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2514436 | 0.88 | NTRK1 (0.51) | NTRK1RETKDRAURKARPS6KB1 | |
| SCHEMBL2515961 | 0.85 | CYP19A1 (0.49) | NTRK1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL30468404 | 0.80 | PTK2 (0.51) | NTRK1 | |
| SCHEMBL29051852 | 0.80 | PTK2 (0.51) | NTRK1 | |
| SCHEMBL30468456 | 0.79 | NTRK1 (0.47) | NTRK1ALDH1A1KDM4EHPGDMEN1 | |
| SCHEMBL29051917 | 0.79 | NTRK1 (0.47) | NTRK1ALDH1A1KDM4EHPGDMEN1 | |
| SCHEMBL3007786 | 0.76 | JAK3 (0.54) | NTRK1AURKAJAK3 | |
| SCHEMBL1025628 | 0.73 | CYP19A1 (0.58) | NTRK1LMNATP53 | |
| SCHEMBL1025031 | 0.72 | POLB (0.53) | MEN1KMT2A | |
| SCHEMBL12209797 | 0.72 | NTRK1 (0.47) | NTRK1AURKARPS6KB1 |
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-8765727-B2 | Macrocyclic compounds and their use as kinase inhibitors | INCYTE CORPORATION (US) | 2014-07-01 | — | — | US | disclosed |