Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.55 |
| ▸ | RAB9A | P51151 | 6/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31355052 | 0.91 | CES2 (0.60) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL9281761 | 0.86 | CES2 (0.62) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| Thiobenzoic Acid SCHEMBL29090031 | 0.82 | CA4 (0.64) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| Thiobenzoic Acid SCHEMBL2320796 | 0.82 | HPGD (0.47) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL27632496 | 0.81 | HSD17B2 (0.52) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL24050798 | 0.79 | CES2 (0.58) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| Thiobenzoic Acid SCHEMBL10902274 | 0.78 | HPGD (0.44) | NPC1RAB9ASMN1; SMN2CES1MEN1 | |
| SCHEMBL28466686 | 0.75 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL812710 | 0.75 | TSHR (0.52) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL7527945 | 0.75 | CES2 (0.53) | NPC1RAB9ASMN1; SMN2CES2CES1 |
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-1998014449-A1 | FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1998-04-09 | — | — | WO | disclosed |