Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | TYMS | P04818 | 4/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL8413272 | 0.98 | NPC1 (0.43) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL8413072 | 0.98 | NPC1 (0.42) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8005983 | 0.94 | NPC1 (0.45) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7975393 | 0.82 | HTT (0.45) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8413118 | 0.81 | RAB9A (0.44) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL8409929 | 0.81 | NPC1 (0.41) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9233969 | 0.81 | BRD2 (0.52) | NPC1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL8409818 | 0.80 | LMNA (0.49) | LMNASMN1; SMN2TYMSALDH1A1ATM | |
| SCHEMBL8409771 | 0.80 | TYMS (0.46) | LMNASMN1; SMN2TYMSALDH1A1MAPK1 | |
| SCHEMBL8005999 | 0.79 | KDR (0.38) | LMNASMN1; SMN2TYMSKDRALDH1A1 |
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-5859030-A | Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-01-12 | — | — | US | disclosed |