Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.36 |
| ▸ | BPTF | Q12830 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8916441 | 0.82 | ADRB2 (0.40) | ADRB2CHRNB2CHRNA4HRH4BPTF | |
| SCHEMBL8923171 | 0.77 | ADRB2 (0.51) | ADRB2CHRNB2CHRNA4ADRB1HTR2C | |
| SCHEMBL8917264 | 0.71 | LMNA (0.33) | ALDH1A1 | |
| SCHEMBL9690012 | 0.70 | ADRB2 (0.40) | ADRB2CHRNB2CHRNA4HRH4BPTF | |
| SCHEMBL8916543 | 0.65 | EPHX2 (0.45) | HTR2CKDM4EALDH1A1 | |
| SCHEMBL13993980 | 0.65 | ADRB1 (0.47) | ADRB1HTR2CKDM4EMEN1HTR1A | |
| SCHEMBL30962084 | 0.64 | ADRB1 (0.55) | ADRB2CHRNB2CHRNA4BPTFADRB1 | |
| SCHEMBL8792881 | 0.62 | EPHX2 (0.56) | HTR2CKDM4EALDH1A1HTR1A | |
| SCHEMBL9085149 | 0.62 | CASP1 (0.49) | HRH4ADRB1KDM4EMEN1ALDH1A1 | |
| SCHEMBL30552303 | 0.62 | LMNA (0.63) | ADRB1HTR2CKDM4EMEN1ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686610-A | Pyridyl piperazine compound | PHARMACIA & UPJOHN COMPANY (US) | 1997-11-11 | — | — | US | disclosed |
| US-5599930-A | Substituted indoles as anti-AIDS pharmaceuticals | THE UPJOHN COMPANY (US) | 1997-02-04 | — | — | US | disclosed |
| US-5563142-A | INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | THE UPJOHN COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0507861-B1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | UPJOHN CO (US) | 1996-09-11 | — | — | EP | disclosed |
| US-5489593-A | Anti-aids piperazines | THE UPJOHN COMPANY (US) | 1996-02-06 | — | — | US | disclosed |
| WO-1993001181-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | THE UPJOHN COMPANY (US) | 1993-01-21 | — | — | WO | disclosed |
| WO-1991009849-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | THE UPJOHN COMPANY (US) | 1991-07-11 | — | — | WO | disclosed |