Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | SCN1A | P35498 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL20037920 | 0.84 | NPC1 (0.60) | NPC1ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL27002892 | 0.84 | KDM4E (0.60) | NPC1ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL26799190 | 0.83 | ALDH1A1 (0.49) | NPC1ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL13400756 | 0.83 | MEN1 (0.55) | NPC1ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL29339540 | 0.83 | LTA4H (0.51) | NPC1ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL14261476 | 0.79 | NPC1 (0.54) | NPC1ALDH1A1CYP1A2KDM4ERAB9A | |
| SCHEMBL82383 | 0.79 | ALDH1A1 (0.67) | NPC1ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL30586324 | 0.78 | PRKAB2 (0.61) | NPC1ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL5199779 | 0.78 | ALDH1A1 (0.65) | NPC1ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL16535859 | 0.78 | TSHR (0.61) | NPC1ALDH1A1MAPK1CYP1A2CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7700774-B2 | Heterocyclic compounds and their pharmaceutical compositions | DR. REDDY'S LABORATORIES LTD. (IN) | 2010-04-20 | — | — | US | disclosed |