Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23761932 | 0.81 | CCR5 (0.65) | KMT2AALDH1A1CCR5HPGDTSHR | |
| SCHEMBL4283829 | 0.79 | CCR5 (0.62) | KMT2AALDH1A1ATMCCR5HPGD | |
| SCHEMBL3827620 | 0.76 | CYP1A2 (0.50) | SIGMAR1NPC1RAB9A | |
| SCHEMBL2408117 | 0.76 | KMT2A (0.52) | KMT2AALDH1A1CCR5SIGMAR1CHRM1 | |
| SCHEMBL9938385 | 0.73 | CYP1A2 (0.51) | KMT2AALDH1A1SIGMAR1 | |
| SCHEMBL2404021 | 0.72 | SIGMAR1 (0.62) | KMT2ACCR5HPGDTSHRSIGMAR1 | |
| SCHEMBL14297341 | 0.72 | NPC1 (0.55) | KMT2AALDH1A1CCR5SIGMAR1NPC1 | |
| SCHEMBL2575803 | 0.71 | MEN1 (0.51) | KMT2ACCR5SIGMAR1 | |
| SCHEMBL5143781 | 0.70 | ALDH1A1 (0.58) | KMT2AALDH1A1ATMHPGDTSHR | |
| SCHEMBL21891520 | 0.70 | HPGD (0.62) | KMT2AALDH1A1ATMHPGDTSHR |
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-2004087669-A1 | NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO. LTD. (JP) | 2004-10-14 | — | — | WO | disclosed |