Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | FAP | Q12884 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL8638115 | 0.91 | RAB9A (0.38) | RAB9ACYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL8901920 | 0.78 | RAB9A (0.58) | RAB9ACYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL2720399 | 0.77 | RAB9A (0.57) | RAB9ACYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL31445349 | 0.77 | RAB9A (0.57) | RAB9ACYP1A2CYP2D6CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL11349059 | 0.75 | RAB9A (0.56) | RAB9ACYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL8970575 | 0.74 | RAB9A (0.57) | RAB9ACYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL16244206 | 0.71 | RAB9A (0.57) | RAB9ACYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9682910 | 0.70 | RAB9A (0.56) | RAB9ACYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL5755300 | 0.67 | CYP1A2 (0.58) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL21688271 | 0.63 | RAB9A (0.52) | RAB9ACYP1A2CYP2D6CYP2C19TSHR |
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-5760235-A | DIPEPTIDES BASED ON PROLINE OR PIPECOLIC ACID AND ARGININE ALDEHYDE | GYOGYSZERKUTATO INTEZET KFT. (HU) | 1998-06-02 | — | — | US | disclosed |
| EP-0629212-B1 | NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF | GYOGYSZERKUTATO INTEZET (HU) | 1997-10-08 | — | — | EP | disclosed |