Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 5/20 | 0.46 |
| ▸ | IP6K1 | Q92551 | 3/20 | 0.46 |
| ▸ | IP6K3 | Q96PC2 | 3/20 | 0.46 |
| ▸ | IP6K2 | Q9UHH9 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30050282 | 0.84 | TDP1 (0.56) | TDP1ATMHSP90AA1ESR2NPC1 | |
| SCHEMBL20271625 | 0.84 | TDP1 (0.56) | TDP1ATMHSP90AA1ESR2NPC1 | |
| SCHEMBL538292 | 0.82 | ALDH1A1 (0.57) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL30251661 | 0.81 | LMNA (0.62) | TDP1ATMHSP90AA1ESR2NPC1 | |
| SCHEMBL2884817 | 0.81 | LMNA (0.62) | TDP1ATMHSP90AA1ESR2NPC1 | |
| SCHEMBL23858583 | 0.81 | TDP1 (0.53) | TDP1ATMHSP90AA1ESR2NPC1 | |
| SCHEMBL3238508 | 0.81 | GNG2 (0.61) | TDP1ALDH1A1MEN1KMT2AHSD17B10 | |
| SCHEMBL30251698 | 0.81 | TDP1 (0.53) | TDP1ATMHSP90AA1ESR2NPC1 | |
| SCHEMBL2908985 | 0.81 | ALOX15 (0.48) | TDP1HSP90AA1ESR2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL31428470 | 0.80 | GNG2 (0.60) | TDP1ALDH1A1MEN1KMT2AHSD17B10 |
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-1998027815-A1 | SUBSTITUTED AMINOQUINOLINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-07-02 | — | — | WO | disclosed |