Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8329148 | 1.00 | CA2 (0.47) | CA2ALDH1A1POLBPDE5AMME | |
| SCHEMBL7308687 | 0.87 | CA2 (0.47) | CA2ALDH1A1POLBMMEGAA | |
| SCHEMBL7308684 | 0.87 | CA2 (0.47) | CA2ALDH1A1POLBMMEGAA | |
| SCHEMBL4683895 | 0.81 | CA2 (0.67) | CA2ALDH1A1POLBMMEGAA | |
| SCHEMBL4683897 | 0.81 | CA2 (0.67) | CA2ALDH1A1POLBMMEGAA | |
| SCHEMBL7337373 | 0.80 | CYP1A2 (0.48) | CA2ALDH1A1GAANPSR1CYP1A2 | |
| SCHEMBL7337376 | 0.80 | CYP1A2 (0.48) | CA2ALDH1A1GAANPSR1CYP1A2 | |
| SCHEMBL1058928 | 0.79 | PDE5A (0.41) | CA2ALDH1A1PDE5ACYP2C19 | |
| SCHEMBL7094675 | 0.78 | CYP3A4 (0.42) | CA2CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5711217 | 0.76 | NPC1 (0.56) | CA2ALDH1A1POLBGAALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5990135-A | FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA | ABBOTT LABORATORIES (US) | 1999-11-23 | — | — | US | disclosed |
| US-5631376-A | PEPTIDE DERIVATIVES FOR TREATMENT OF AIDS | ABBOTT LABORATORIES (US) | 1997-05-20 | — | — | US | disclosed |
| US-5621109-A | OXAZOLE/THIAZOLE DERIVATIVES OF HYDROXYMETHYL HYDRAZONES; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1997-04-15 | — | — | US | disclosed |
| EP-0683772-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1995-11-29 | — | — | EP | disclosed |
| US-5461067-A | For HIV infections | ABBOTT LABORATORIES (US) | 1995-10-24 | — | — | US | disclosed |
| EP-0683772-A4 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS. | ABBOTT LAB (US) | 1995-09-27 | — | — | EP | disclosed |
| WO-1994019332-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1994-09-01 | — | — | WO | disclosed |