Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL8905605 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C19PKMMAPT | |
| SCHEMBL11099951 | 0.79 | ADRB2 (0.61) | CYP3A4ALDH1A1TSHRADRB2KMT2A | |
| SCHEMBL11102216 | 0.78 | MEN1 (0.59) | CYP3A4ALDH1A1TSHRADRB2KMT2A | |
| SCHEMBL11041312 | 0.78 | PKM (0.54) | CYP1A2CYP2D6CYP2C19PKMMAPT | |
| SCHEMBL8993333 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ATMTSHRADRB2KMT2A | |
| SCHEMBL8907016 | 0.76 | ADRB2 (0.51) | MAPTCYP3A4ALDH1A1TSHRADRB2 | |
| SCHEMBL8906311 | 0.75 | ADRB2 (0.55) | CYP3A4ALDH1A1TSHRADRB2KMT2A | |
| SCHEMBL8906047 | 0.75 | ADRB3 (0.60) | MAPTCYP3A4ALDH1A1TSHRADRB2 | |
| SCHEMBL8905807 | 0.75 | OPRK1 (0.48) | CYP3A4ALDH1A1TSHRADRB2KMT2A | |
| SCHEMBL11098569 | 0.75 | OPRK1 (0.54) | MAPTCYP3A4ALDH1A1TSHRADRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0040955-B1 | 3,4-DIHYDROXYPHENYLTETRAHYDROTHIENOPYRIDINES | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-27 | — | — | EP | disclosed |
| EP-0040955-A2 | 3,4-Dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE BECKMAN CORPORATION (US) | 1981-12-02 | — | — | EP | disclosed |
| US-4282227-A | Renal vasodilating 3,4-dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE CORPORATION (US) | 1981-08-04 | — | — | US | disclosed |