Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.73 |
| ▸ | RAB9A | P51151 | 1/20 | 0.73 |
| ▸ | ACHE | P22303 | 5/20 | 0.55 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1753009 | 0.84 | NPC1 (0.77) | NPC1RAB9AACHECYP1A2CYP3A4 | |
| SCHEMBL1752778 | 0.77 | NPC1 (0.67) | NPC1RAB9AACHECYP1A2CYP3A4 | |
| SCHEMBL1945394 | 0.73 | CD274 (0.49) | NPC1RAB9AACHECD274HRH2 | |
| SCHEMBL1752809 | 0.71 | ACHE (1.00) | NPC1RAB9AACHE | |
| Bazinaprine SCHEMBL499295 | 0.70 | ACHE (1.00) | ACHECYP1A2CYP3A4USP2CLK4 | |
| SCHEMBL24784178 | 0.70 | NPC1 (0.56) | NPC1RAB9APKMCYP1A2CYP3A4 | |
| SCHEMBL30133010 | 0.70 | NPC1 (0.56) | NPC1RAB9APKMCYP1A2CYP3A4 | |
| SCHEMBL1945391 | 0.70 | FYN (0.68) | CD274HRH2HRH1HRH3CYP1A2 | |
| Bazinaprine SCHEMBL10830678 | 0.70 | ACHE (0.98) | ACHECYP1A2CYP3A4USP2CLK4 | |
| SCHEMBL2962027 | 0.69 | CYP1A2 (0.49) | NPC1RAB9ACYP1A2CYP3A4CLK4 |
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-20020168403-A1 | Compositions and therapy for substance addiction | BIBERMAN RONI (IL) | 2002-11-14 | — | — | US | disclosed |