Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.51 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.51 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.51 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.51 |
| ▸ | MLNR | O43193 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7339582 | 0.92 | CA2 (0.69) | CA2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7333246 | 0.92 | CA2 (0.69) | CA2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7335185 | 0.91 | CA2 (0.59) | CA2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7301424 | 0.90 | CA2 (0.61) | CA2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7311241 | 0.90 | CYP3A4 (0.63) | CA2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7303691 | 0.89 | CA2 (0.61) | CA2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7331862 | 0.89 | CA2 (0.61) | CA2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7341142 | 0.88 | CA2 (0.64) | CA2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7333569 | 0.86 | CA2 (0.80) | CA2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7330542 | 0.86 | CA2 (0.80) | CA2CYP3A4CYP2D6CYP2C19CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5837873-A | PROTECTED OXYDIAMINES | ABBOTT LABORATORIES (US) | 1998-11-17 | — | — | US | disclosed |
| US-5616714-A | PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES | ABBOTT LABORATORIES (US) | 1997-04-01 | — | — | US | disclosed |
| US-5554783-A | (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE | ABBOTT LABORATORIES (US) | 1996-09-10 | — | — | US | disclosed |
| US-5541334-A | TREATING HIV | ABBOTT LABORATORIES (US) | 1996-07-30 | — | — | US | disclosed |
| US-5354866-A | Treating HIV infections | ABBOTT LABORATORIES (US) | 1994-10-11 | — | — | US | disclosed |
| EP-0486948-A2 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1992-05-27 | — | — | EP | disclosed |