Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29924281 | 0.88 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL29668566 | 0.85 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL29924612 | 0.82 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL16422282 | 0.82 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL20140095 | 0.82 | HTR1A (0.54) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL14761667 | 0.82 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL439379 | 0.82 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL17837639 | 0.82 | GRM1 (0.57) | GRM5GRM1 | |
| SCHEMBL17844393 | 0.82 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL26117408 | 0.79 | HTR1A (0.48) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233829-A1 | PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS | Pfizer Inc (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016097918-A1 | PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS | PFIZER INC. (US) | 2016-06-23 | — | — | WO | disclosed |