Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | P2RY12 | Q9H244 | 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 | |
|---|---|---|---|---|
| SCHEMBL722986 | 0.86 | SYK (0.50) | POLBTSHRNPC1RAB9ASYK | |
| SCHEMBL430271 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HTTMAPTUSP2MEN1 | |
| SCHEMBL22636169 | 0.85 | ALDH1A1 (0.33) | ALDH1A1HTTMAPTUSP2MEN1 | |
| SCHEMBL31068420 | 0.83 | POLB (0.51) | ALDH1A1HTTMAPTMEN1KMT2A | |
| SCHEMBL17075646 | 0.82 | KDM4E (0.48) | ALDH1A1HTTMAPTPOLBTSHR | |
| SCHEMBL14758443 | 0.82 | TSHR (0.62) | ALDH1A1HTTMAPTPOLBTSHR | |
| SCHEMBL13957871 | 0.82 | POLB (0.44) | ALDH1A1HTTMAPTUSP2MEN1 | |
| SCHEMBL2797649 | 0.81 | TSHR (0.52) | ALDH1A1USP2TSHRSYKHTR2B | |
| SCHEMBL22636122 | 0.80 | ESR2 (0.36) | HTR2CHTR2B | |
| SCHEMBL22636293 | 0.80 | ESR2 (0.39) | KMT2A |
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-2020225077-A1 | PYRIMIDO[4,5-B]INDOL DERIVATIVES AS PDHK1 INHIBITORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2020-11-12 | — | — | WO | disclosed |