Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.64 |
| ▸ | LTA4H | P09960 | 2/20 | 0.55 |
| ▸ | LAP3 | P28838 | 1/20 | 0.55 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.55 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.55 |
| ▸ | PPARG | P37231 | 2/20 | 0.52 |
| ▸ | PPARA | Q07869 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.51 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9484576 | 1.00 | CTRB1 (0.64) | CTRB1LTA4HLAP3ITGB3ITGA2B | |
| SCHEMBL5551626 | 0.91 | CTRB1 (0.60) | CTRB1ITGB3ITGA2BHDAC8CYP1A2 | |
| SCHEMBL8612085 | 0.91 | CTRB1 (0.60) | CTRB1ITGB3ITGA2BHDAC8CYP1A2 | |
| SCHEMBL8612079 | 0.91 | CTRB1 (0.60) | CTRB1ITGB3ITGA2BHDAC8CYP1A2 | |
| SCHEMBL1051352 | 0.91 | CTRB1 (0.76) | CTRB1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2482903 | 0.91 | CTRB1 (0.76) | CTRB1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2435512 | 0.91 | CTRB1 (0.76) | CTRB1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17931616 | 0.90 | NPC1 (0.58) | CTRB1LTA4HPPARGPPARAFFAR1 | |
| SCHEMBL3126256 | 0.89 | ITGB3 (0.58) | CTRB1ITGB3ITGA2B | |
| SCHEMBL8775071 | 0.89 | CTRB1 (0.57) | CTRB1ITGB3ITGA2BCYP1A2CYP3A4 |
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 12 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-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 |
| US-5541334-A | TREATING HIV | ABBOTT LABORATORIES (US) | 1996-07-30 | — | — | US | disclosed |
| US-5245034-A | Compound having vessel smooth muscle relaxation activity | Hidaka, Kiroyoshi (JP) | 1993-09-14 | — | — | US | disclosed |
| US-5216150-A | Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor | Hidaka, Hiroyoshi (JP) | 1993-06-01 | — | — | US | disclosed |
| EP-0486948-A2 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1992-05-27 | — | — | EP | disclosed |
| US-5081246-A | Isoquinolino sulfonamino derivatives | Hidaka, Hiroyoshi (JP) | 1992-01-14 | — | — | US | disclosed |