Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CPA1 | P15085 | 6/20 | 0.50 |
| ▸ | CPA3 | P15088 | 3/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.50 |
| ▸ | CPB1 | P15086 | 1/20 | 0.50 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7328904 | 0.84 | LMNA (0.58) | CYP1A2ALDH1A1POLBSMN1; SMN2KMT2A | |
| SCHEMBL7421414 | 0.76 | KMT2A (0.57) | ALDH1A1POLBSMN1; SMN2KMT2AMAPT | |
| SCHEMBL7331345 | 0.75 | CYP1A2 (0.47) | CYP1A2ALDH1A1POLBSMN1; SMN2KMT2A | |
| SCHEMBL7431215 | 0.75 | MEN1 (0.63) | CYP1A2ALDH1A1POLBCPA1CPA3 | |
| SCHEMBL162841 | 0.75 | CYP1A2 (0.70) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL4664822 | 0.74 | CYP1A2 (1.00) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7283545 | 0.74 | ALDH1A1 (0.54) | ALDH1A1POLBSMN1; SMN2KMT2AMAPT | |
| Acetic Acid SCHEMBL28119023 | 0.73 | ALDH1A1 (0.57) | ALDH1A1POLBSMN1; SMN2KMT2AMAPT | |
| SCHEMBL7434987 | 0.72 | CYP1A2 (0.66) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9622038 | 0.72 | CYP1A2 (0.86) | CYP1A2CPA1CPA3FOLH1CPB1 |
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 |