Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9718391 | 0.88 | TSHR (0.63) | PKMCYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL10698823 | 0.88 | PKM (0.59) | PKMCYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL9718385 | 0.79 | ALDH1A1 (0.64) | MEN1KMT2APOLBTP53ALDH1A1 | |
| SCHEMBL9771163 | 0.78 | TSHR (0.47) | PKMCYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL9718387 | 0.78 | ALDH1A1 (0.62) | CYP2D6CYP2C19MEN1KMT2APOLB | |
| SCHEMBL9718429 | 0.78 | TBXA2R (0.59) | MEN1KMT2AALDH1A1 | |
| SCHEMBL9718367 | 0.78 | TBXAS1 (0.58) | — | |
| SCHEMBL7217749 | 0.76 | CYP2D6 (0.72) | PKMCYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL10869142 | 0.74 | CA12 (0.42) | MEN1KMT2AALDH1A1CA12CA7 | |
| SCHEMBL9661496 | 0.73 | SMN1; SMN2 (0.60) | MEN1KMT2APOLBALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0260527-B1 | SYNERGETIC COMBINATION COMPRISING A PHOSPHODIESTERASE INHIBITOR AND A THROMBOXAN-A2-ANTAGONIST, AND THEIR USE OR MANUFACTURE | Dr. Karl Thomae GmbH (DE) | 1992-04-01 | — | — | EP | disclosed |