Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14596349 | 0.86 | PDGFRB (0.40) | HTR2AHTR2CHTR2BNPC1RAB9A | |
| SCHEMBL11198232 | 0.84 | CACNA2D1 (0.43) | ALDH1A1HPGDNPC1RAB9ALMNA | |
| SCHEMBL11196213 | 0.82 | CYP2D6 (0.48) | ALDH1A1HPGDHSD17B10NPC1RAB9A | |
| SCHEMBL11197344 | 0.82 | CYP2D6 (0.50) | ALDH1A1HPGDHSD17B10NPC1RAB9A | |
| SCHEMBL11194904 | 0.81 | NPC1 (0.46) | HTR2AHTR2CHTR2BCNR1ALDH1A1 | |
| SCHEMBL11159338 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HPGDNPC1RAB9ALMNA | |
| SCHEMBL8962894 | 0.80 | KDR (0.36) | HTR2AHTR2CHTR2BNPC1RAB9A | |
| SCHEMBL11206315 | 0.80 | CYP2D6 (0.48) | ALDH1A1HPGDHSD17B10NPC1RAB9A | |
| SCHEMBL11198301 | 0.79 | RARB (0.47) | HTR2AHTR2CHTR2BALDH1A1HPGD | |
| SCHEMBL11201618 | 0.79 | RARB (0.47) | HTR2AHTR2CHTR2BALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4389329-A | Meterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 1983-06-21 | — | — | US | disclosed |
| US-4273929-A | Heterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 1981-06-16 | — | — | US | disclosed |