Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9013494 | 0.88 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19MMP8PKM | |
| SCHEMBL16880290 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19TRPM8LMNA | |
| SCHEMBL28683018 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19TRPM8LMNA | |
| SCHEMBL1312803 | 0.80 | MMP8 (0.62) | MMP8PKMTSHRALDH1A1TP53 | |
| SCHEMBL27486451 | 0.79 | TACR1 (0.48) | CYP1A2CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL6747630 | 0.79 | TACR1 (0.48) | CYP1A2CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL10805875 | 0.78 | SLC1A3 (0.51) | CYP2C19MMESLC1A3SLC1A2SLC1A1 | |
| SCHEMBL16808603 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19TRPM8LMNA | |
| SCHEMBL359468 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL165382 | 0.75 | MMP8 (0.76) | CYP1A2MMP8PKMLMNATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5688946-A | DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | HOFFMANN LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |