Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7326818 | 0.75 | CYP1A2 (0.56) | CYP1A2ALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL162841 | 0.72 | CYP1A2 (0.70) | CYP1A2 | |
| SCHEMBL6794458 | 0.71 | ALDH1A1 (0.48) | NPC1ALDH1A1RAB9AKMT2AMAPT | |
| SCHEMBL838961 | 0.68 | CYP1A2 (0.63) | CYP1A2 | |
| SCHEMBL6154521 | 0.68 | CYP1A2 (0.63) | CYP1A2 | |
| SCHEMBL7273483 | 0.68 | CYP1A2 (0.63) | CYP1A2 | |
| SCHEMBL838962 | 0.68 | CYP1A2 (0.63) | CYP1A2 | |
| SCHEMBL7273492 | 0.68 | CYP1A2 (0.63) | CYP1A2 | |
| SCHEMBL4664822 | 0.68 | CYP1A2 (1.00) | CYP1A2 | |
| SCHEMBL15358494 | 0.67 | KDM4E (0.61) | CYP1A2KMT2AMAPTMEN1HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4914129-A | Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups | CIBA-GEIGY CORPORATION (US) | 1990-04-03 | — | — | US | disclosed |
| US-4889869-A | ANTIALDOSTERONISM AGENTS | CIBA-GEIGY CORPORATION (US) | 1989-12-26 | — | — | US | disclosed |
| US-4758584-A | Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups | CIBA-GEIGY CORPORATION (US) | 1988-07-19 | — | — | US | disclosed |
| EP-0236734-A2 | 5-Amino-4-hydroxyvaleryl derivatives substituted by s-containing groups | CIBA-GEIGY AG (CH) | 1987-09-16 | — | — | EP | disclosed |