Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL7310283 | 0.85 | CTRB1 (0.48) | CA2KLK5CYP3A4CTRB1PSEN1 | |
| SCHEMBL8490932 | 0.84 | HTT (0.47) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8490546 | 0.84 | HTT (0.47) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8486300 | 0.84 | TSHR (0.49) | KLK5CTRB1TSHRNPC1RAB9A | |
| SCHEMBL7270247 | 0.84 | ATM (0.62) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL7301095 | 0.84 | ATM (0.62) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL7305946 | 0.84 | ATM (0.62) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL7299571 | 0.84 | ATM (0.62) | KLK5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL893605 | 0.83 | CYP3A4 (0.61) | CYP3A4MAPK1ABCC3ABCC4ABCB11 | |
| SCHEMBL7302263 | 0.83 | CYP1A2 (0.45) | CA2KLK5CYP3A4CTRB1ATM |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0486948-B1 | Retroviral protease inhibiting compounds | ABBOTT LAB (US) | 2000-10-04 | — | — | EP | disclosed |
| 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-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 |