Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.61 |
| ▸ | ERN1 | O75460 | 3/20 | 0.59 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.59 |
| ▸ | TYR | P14679 | 1/20 | 0.59 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | JUN | P05412 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL629648 | 0.92 | ALDH1A1 (0.61) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL30567454 | 0.88 | CYP1A2 (0.52) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL9065566 | 0.88 | CYP1A2 (0.52) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL29957021 | 0.88 | ALDH1A1 (0.70) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL12672585 | 0.88 | ALDH1A1 (0.70) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL18901736 | 0.81 | CYP1A2 (0.46) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL4146470 | 0.79 | ALDH1A1 (0.59) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL5660761 | 0.79 | ALDH1A1 (0.46) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL28336721 | 0.78 | ALDH1A1 (0.52) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL2204435 | 0.78 | ERN1 (0.61) | ALDH1A1ERN1TRIM24TYRTRIM33 |
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-4593033-A | Cardiovascular disorders | MERCK & CO., INC. (US) | 1986-06-03 | — | — | US | disclosed |
| US-4548941-A | 1,5-Methano-1H-4-benzazonine dicarboxylates, process for preparing and use as calcium blockers | MERCK & CO., INC. (US) | 1985-10-22 | — | — | US | disclosed |