Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.65 |
| ▸ | HPGD | P15428 | 3/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | RECQL | P46063 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9206394 | 0.91 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL9199916 | 0.86 | HPGD (0.46) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL4356883 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL5809049 | 0.84 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL1275935 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDHTTRECQL | |
| Hydrochloric Acid SCHEMBL1417761 | 0.81 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL7234563 | 0.80 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL27609241 | 0.80 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL1444895 | 0.80 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL8664938 | 0.80 | KDM4E (0.50) | ALDH1A1KDM4EHPGDHTTRECQL |
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-5389661-A | Treats hypertension, heart failure, glaucoma and hyperaldosteronism | WARNER-LAMBERT COMPANY (US) | 1995-02-14 | — | — | US | disclosed |
| US-5322950-A | Treating hypertension, hyperaldosteronism, glaucoma, heart failure | WARNER-LAMBERT COMPANY (US) | 1994-06-21 | — | — | US | disclosed |