Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CTSD | P07339 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6449601 | 0.86 | CA2 (0.70) | CA2CTSDSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7269412 | 0.86 | CA2 (0.67) | CA2CTSDSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7293891 | 0.85 | CA2 (0.53) | CA2CTSDSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7334046 | 0.83 | CA2 (0.48) | CA2CTSDSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7338429 | 0.83 | CA2 (0.50) | CA2CTSDSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7277467 | 0.77 | CTSD (0.59) | CA2CTSD | |
| SCHEMBL6449115 | 0.76 | CA2 (0.73) | CA2CTSDSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL9742352 | 0.76 | CA2 (0.73) | CA2CTSDSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7801233 | 0.75 | CTSD (0.49) | CTSD | |
| SCHEMBL7268626 | 0.74 | CA2 (0.41) | CA2CTSDSMN1; SMN2CYP1A2CYP2D6 |
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 8 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-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-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 |