Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 7/20 | 0.40 |
| ▸ | DRD1 | P21728 | 6/20 | 0.38 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10600866 | 0.94 | PTGDR2 (0.44) | PTGDR2DRD1DRD2MTORCYP1A2 | |
| SCHEMBL10606164 | 0.87 | PTGDR2 (0.41) | PTGDR2S1PR5NPC1RAB9ACHRNB2 | |
| SCHEMBL9157251 | 0.84 | YAP1 (0.44) | DRD1DRD2MTORCYP1A2CYP3A4 | |
| SCHEMBL9162086 | 0.77 | DRD1 (0.52) | DRD1DRD2MTORCYP1A2CYP3A4 | |
| SCHEMBL10603185 | 0.76 | GHSR (0.42) | PTGDR2DRD1DRD2MTORTHPO | |
| SCHEMBL9160083 | 0.74 | YAP1 (0.44) | ALOX15LMNAGAANPC1RAB9A | |
| SCHEMBL9158709 | 0.73 | YAP1 (0.44) | S1PR5 | |
| SCHEMBL9161002 | 0.70 | YAP1 (0.44) | ALOX15LMNAGAANPC1RAB9A | |
| SCHEMBL10866767 | 0.69 | NPC1 (0.36) | DRD1DRD2S1PR5NPC1RAB9A | |
| SCHEMBL9165947 | 0.68 | ESR2 (0.39) | DRD1DRD2KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0167204-B1 | METHOD FOR IMPROVING THE ABSORPTION AND EFFECTIVENESS OF A CATECHOLAMINE COMPOUND | SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) | 1989-09-27 | — | — | EP | disclosed |
| US-4673671-A | CONVERSION TO MONO O-PHOSPHATE ESTER | SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) | 1987-06-16 | — | — | US | disclosed |