Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12428109 | 0.81 | HTR6 (0.50) | CYP2D6HTR6DRD2DRD1DRD4 | |
| SCHEMBL12428110 | 0.81 | HTR6 (0.50) | CYP2D6HTR6DRD2DRD1DRD4 | |
| SCHEMBL28159934 | 0.79 | ALDH1A1 (0.45) | ALDH1A1PKMPOLBHTTCYP2D6 | |
| SCHEMBL8206528 | 0.78 | CASP3 (0.55) | CASP3CASP7GAA | |
| SCHEMBL8206525 | 0.78 | CASP3 (0.55) | CASP3CASP7GAA | |
| SCHEMBL5337048 | 0.78 | CASP3 (0.55) | CASP3CASP7GAA | |
| SCHEMBL17846419 | 0.77 | CYP2D6 (0.42) | ALDH1A1PKMPOLBHTTCYP2D6 | |
| SCHEMBL9676145 | 0.77 | HTR6 (0.46) | CYP2D6CYP1A2HTR6DRD2DRD1 | |
| SCHEMBL2302585 | 0.76 | FFAR1 (0.45) | ALDH1A1POLBCYP2D6CYP1A2FFAR1 | |
| SCHEMBL16032028 | 0.76 | ALDH1A1 (0.44) | ALDH1A1POLBCYP2D6CYP1A2FFAR1 |
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-5583146-A | Heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| EP-0623595-A1 | Guanidinyl- or amidinyl-substituted heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-11-09 | — | — | EP | disclosed |