Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.50 |
| ▸ | DRD3 | P35462 | 5/20 | 0.50 |
| ▸ | DRD4 | P21917 | 4/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | CMA1 | P23946 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | GRK2 | P25098 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8567563 | 0.90 | DRD2 (0.45) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL1360709 | 0.90 | CMA1 (0.59) | CMA1LMNANPC1RAB9AMAPT | |
| SCHEMBL15981860 | 0.79 | DRD2 (0.52) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL15981859 | 0.79 | DRD2 (0.52) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL7503757 | 0.77 | TGFBR1 (0.55) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL14922286 | 0.77 | SMN1; SMN2 (0.59) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL20000624 | 0.77 | DRD2 (0.50) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL23646854 | 0.76 | MAPT (0.57) | DRD2DRD3DRD4HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL10407803 | 0.76 | TGFBR1 (0.54) | DRD2DRD3DRD4HTR1AADRA2A | |
| SCHEMBL30061277 | 0.76 | MAPT (0.57) | DRD2DRD3DRD4HTR1AADRA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1342074-A | Antidepressant heterocyclic compounds | BRISTOL MYERS SQUIBB CO (US) | 2002-03-27 | — | — | CN | disclosed |
| US-6225324-B1 | POTENT INHIBITION OF 5-HT REUPTAKE; 1,3-DISUBSTITUTED PYRROLIDINE, 1,4-DISUBSTITUTED PIPERIDINE, OR 1,4-DISUBSTITUTED HEXAHYDROAZEPINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY | 2001-05-01 | — | — | US | disclosed |