Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 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 | |
|---|---|---|---|---|
| SCHEMBL28416252 | 0.92 | MTNR1A (0.55) | MTNR1APOLBCYP2C9CYP2C19NPC1 | |
| SCHEMBL4887935 | 0.84 | CYP1A2 (0.61) | CYP2C9CYP2C19NPC1RAB9ATSHR | |
| SCHEMBL2556349 | 0.84 | MTNR1A (0.49) | MTNR1APOLBCYP2C9CYP2C19NPC1 | |
| SCHEMBL625326 | 0.83 | CYP2C9 (0.49) | MTNR1APOLBCYP2C9CYP2C19NPC1 | |
| Hydrochloric Acid SCHEMBL17258977 | 0.82 | CYP1A2 (0.59) | CYP2C9CYP2C19NPC1RAB9ATSHR | |
| SCHEMBL1799028 | 0.82 | SETDB1 (0.51) | MTNR1ACYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL28029765 | 0.80 | HPGD (0.54) | MTNR1APOLBCYP2C9CYP2C19NPC1 | |
| SCHEMBL10425014 | 0.80 | PNMT (0.39) | MTNR1ACYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL10541306 | 0.79 | MTNR1A (0.45) | MTNR1APOLBCYP2C9CYP2C19NPC1 | |
| SCHEMBL625881 | 0.78 | NPC1 (0.72) | POLBNPC1RAB9ATSHRSMN1; SMN2 |
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-0885186-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997019911-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |