Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | MAOB | P27338 | 7/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 3/20 | 0.52 |
| ▸ | MMP1 | P03956 | 2/20 | 0.52 |
| ▸ | MMP2 | P08253 | 2/20 | 0.52 |
| ▸ | MMP9 | P14780 | 2/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547518 | 0.86 | CYP1A2 (0.68) | CYP1A2CYP2C9MAOBHPGDALDH1A1 | |
| SCHEMBL11547522 | 0.86 | CYP1A2 (0.68) | CYP1A2CYP2C9MAOBHPGDALDH1A1 | |
| SCHEMBL13039631 | 0.85 | CYP1A2 (0.71) | CYP1A2CYP2C9MAOBHPGDALDH1A1 | |
| SCHEMBL6960590 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP2C9MAOBHPGDALDH1A1 | |
| 3-Chloro-Cinnamic Acid SCHEMBL79592 | 0.81 | CYP1A2 (0.76) | CYP1A2CYP2C9MAOBHPGDALDH1A1 | |
| 3-Chloro-Cinnamic Acid SCHEMBL22396853 | 0.81 | CYP1A2 (0.76) | CYP1A2CYP2C9MAOBHPGDALDH1A1 | |
| 3-Chloro-Cinnamic Acid SCHEMBL79591 | 0.81 | CYP1A2 (0.76) | CYP1A2CYP2C9MAOBHPGDALDH1A1 | |
| SCHEMBL11374588 | 0.81 | CYP1A2 (0.56) | CYP1A2CYP2C9MAOBHPGDALDH1A1 | |
| SCHEMBL10348520 | 0.81 | HAO1 (0.75) | CYP1A2CYP2C9MAOBALDH1A1SMN1; SMN2 | |
| SCHEMBL7067334 | 0.81 | HAO1 (0.75) | CYP1A2CYP2C9MAOBALDH1A1SMN1; SMN2 |
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-4038399-A | 1,4-DIHYDROPYRIDINE CARBOXYLIC ACID ESTERS USEFUL AS CORONARY VESSEL DILATORS AND ANTI-HYPERTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-26 | — | — | US | disclosed |
| US-4031104-A | ANTIHYPERTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-06-21 | — | — | US | disclosed |
| US-3996234-A | CORONARY VESSEL DILATORS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-07 | — | — | US | disclosed |
| US-3974275-A | 1,4-Dihydropyridine carboxylic acid esters useful as coronary vessel dilators and anti-hypertensives | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-10 | — | — | US | disclosed |