Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10608536 | 0.83 | ALDH1A1 (0.47) | ALDH1A1HTTAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL10610677 | 0.81 | TRPA1 (0.34) | ALDH1A1PTGS2MEN1KMT2A | |
| SCHEMBL10426437 | 0.80 | CYP1A2 (0.39) | ALDH1A1HTTMEN1POLBKMT2A | |
| SCHEMBL9726610 | 0.76 | HMGCR (0.39) | ALDH1A1HPGDHCAR3HCAR2 | |
| SCHEMBL10609364 | 0.74 | ALDH1A1 (0.44) | ALDH1A1HTTAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL10610685 | 0.72 | CES2 (0.41) | ALDH1A1HPGDHCAR3HCAR2 | |
| SCHEMBL9726484 | 0.71 | HMGCR (0.43) | HPGDHCAR3HCAR2 | |
| SCHEMBL30493211 | 0.70 | ALDH1A1 (0.83) | ALDH1A1HTTAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL10610716 | 0.70 | ALDH1A1 (0.48) | ALDH1A1HTTAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL10609361 | 0.68 | TDP1 (0.37) | ALDH1A1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4897490-A | DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE | BRISTOL-MEYERS COMPANY (US) | 1990-01-30 | — | — | US | disclosed |
| WO-1988006584-A1 | ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS | BRISTOL-MYERS COMPANY (US) | 1988-09-07 | — | — | WO | disclosed |