Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2800784 | 0.92 | TSHR (0.54) | ALDH1A1SMN1; SMN2TSHRBRD4HTT | |
| SCHEMBL4717654 | 0.82 | USP2 (0.48) | NLRP3ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10567796 | 0.79 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2TSHRLMNAPOLB | |
| SCHEMBL7466424 | 0.79 | TSHR (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL3465036 | 0.78 | PLCG1 (0.56) | ALDH1A1TSHRATMLMNAPOLB | |
| SCHEMBL29014243 | 0.77 | TSHR (0.74) | NLRP3ALDH1A1TSHRLMNA | |
| SCHEMBL8867350 | 0.77 | TSHR (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL10565214 | 0.77 | KDM4E (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19ATM | |
| SCHEMBL1639856 | 0.76 | TSHR (0.78) | NLRP3ALDH1A1TSHRLMNA | |
| SCHEMBL10426304 | 0.74 | PKM (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2TSHR |
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-4851396-A | Fungicidal compositions based on nicotinic acid derivatives, new nicotinic acid derivatives and preparation thereof | RHONE-POULENC AGROCHIMIE (FR) | 1989-07-25 | — | — | US | disclosed |