Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | NCF1 | P14598 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 4/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7957058 | 0.89 | NCF1 (0.65) | ADRB2NCF1LMNAHTR1AADRA1D | |
| SCHEMBL2884262 | 0.79 | NCF1 (0.79) | ADRB2NCF1TSHRCYP3A4NFKB1 | |
| SCHEMBL19829015 | 0.79 | METAP1 (0.57) | ADRB2NCF1MAPTHTR1AKCNH2 | |
| Hydrochloric Acid SCHEMBL3711412 | 0.78 | NCF1 (0.77) | ADRB2NCF1TSHRCYP3A4NFKB1 | |
| SCHEMBL30659356 | 0.77 | ADRB2 (0.50) | ADRB2NCF1MAPTHTR1ATRPV1 | |
| SCHEMBL22904346 | 0.76 | ADRB2 (0.47) | ADRB2NCF1TSHRCYP3A4NFKB1 | |
| SCHEMBL3565769 | 0.76 | HTR2A (0.65) | TSHRCYP3A4LMNAHTR1AHTR1B | |
| SCHEMBL13987031 | 0.76 | NR4A1 (0.55) | ADRB2NCF1LMNAMAPTHTR1A | |
| SCHEMBL14659452 | 0.76 | P2RX7 (0.44) | ADRB2NCF1TSHRCYP3A4NFKB1 | |
| SCHEMBL31674414 | 0.76 | LMNA (0.48) | LMNAMAPTHTR1AMEN1ALDH1A1 |
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 |