Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.64 |
| ▸ | CTSD | P07339 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7333674 | 1.00 | CA2 (0.64) | CA2CTSDTDP1CYP3A4CYP2D6 | |
| SCHEMBL7333130 | 1.00 | CA2 (0.64) | CA2CTSDTDP1CYP3A4CYP2D6 | |
| SCHEMBL9235504 | 0.92 | CA2 (0.55) | CA2CTSDCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7439436 | 0.92 | CA2 (0.55) | CA2CTSDCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7310994 | 0.90 | CA2 (0.67) | CA2CTSDTDP1CYP3A4CYP2D6 | |
| SCHEMBL7310781 | 0.83 | TDP1 (0.55) | TDP1CYP1A2PIN1ALDH1A1KDM4E | |
| SCHEMBL7310787 | 0.83 | TDP1 (0.55) | TDP1CYP1A2PIN1ALDH1A1KDM4E | |
| SCHEMBL7307628 | 0.80 | CYP3A4 (0.56) | CA2CTSDCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7302465 | 0.79 | ALDH1A1 (0.50) | TDP1PIN1ALDH1A1KDM4EMEN1 | |
| SCHEMBL7302472 | 0.79 | ALDH1A1 (0.50) | TDP1PIN1ALDH1A1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0997459-A1 | Intermediates for preparing retroviral protease inhibiting compounds | Abbott Laboratories (US) | 2000-05-03 | — | — | EP | disclosed |
| US-5837873-A | PROTECTED OXYDIAMINES | ABBOTT LABORATORIES (US) | 1998-11-17 | — | — | US | disclosed |
| US-5648497-A | Retroviral protease inhibiting compounds | ABBOTT LABORAOTRIES (US) | 1997-07-15 | — | — | US | disclosed |
| US-5616714-A | PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES | ABBOTT LABORATORIES (US) | 1997-04-01 | — | — | US | disclosed |
| US-5597926-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-01-28 | — | — | 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 |
| EP-0486948-A2 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1992-05-27 | — | — | EP | disclosed |