Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL10603961 | 0.91 | EGFR (0.46) | EGFRSRCHPGDNPC1RAB9A | |
| SCHEMBL10601747 | 0.91 | EGFR (0.65) | EGFRSRCHPGDNPC1RAB9A | |
| SCHEMBL9696260 | 0.86 | ESR1 (0.46) | HPGDNPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL10604706 | 0.84 | EGFR (0.57) | EGFRSRCHPGDNPC1RAB9A | |
| SCHEMBL10603957 | 0.84 | EGFR (0.53) | EGFRSRCHPGDNPC1RAB9A | |
| SCHEMBL21480766 | 0.84 | HPGD (0.57) | EGFRSRCHPGDNPC1RAB9A | |
| SCHEMBL10792999 | 0.83 | SMPD1 (0.42) | EGFRSRCHPGDNPC1RAB9A | |
| SCHEMBL10604701 | 0.83 | NPC1 (0.43) | EGFRSRCHPGDNPC1RAB9A | |
| SCHEMBL10604767 | 0.83 | EGFR (0.54) | EGFRSRCKMT2AFFAR4RAF1 | |
| SCHEMBL8559873 | 0.79 | EGFR (0.48) | EGFRSRCHPGDKMT2AALDH1A1 |
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-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 |
| EP-0167204-A1 | Method for improving the absorption and effectiveness of a catecholamine compound | SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) | 1986-01-08 | — | — | EP | disclosed |