Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 6/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL21654533 | 0.89 | RAB9A (0.44) | ALOX12KMT2ASMN1; SMN2HPGDNPC1 | |
| SCHEMBL21654637 | 0.76 | RAB9A (0.41) | ALOX12KMT2ASMN1; SMN2HPGDNPC1 | |
| SCHEMBL21654793 | 0.75 | RAB9A (0.46) | ALOX12KMT2ASMN1; SMN2HPGDNPC1 | |
| SCHEMBL21654588 | 0.73 | NPC1 (0.44) | ALOX12KMT2ASMN1; SMN2HPGDNPC1 | |
| SCHEMBL21654650 | 0.70 | PTK2 (0.44) | KMT2ASMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL20030379 | 0.70 | EGFR (0.42) | ALOX12KMT2ASMN1; SMN2HPGDNPC1 | |
| SCHEMBL21654790 | 0.68 | RAB9A (0.54) | KMT2ASMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL21654646 | 0.67 | PTK2 (0.46) | ALOX12KMT2ASMN1; SMN2HPGDNPC1 | |
| SCHEMBL21654714 | 0.67 | PTK2 (0.43) | ALOX12KMT2ASMN1; SMN2HPGDNPC1 | |
| SCHEMBL21654779 | 0.66 | RAB9A (0.48) | KMT2ASMN1; SMN2HPGDNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018062978-A1 | NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT | 재단법인 한국파스퇴르연구소 | 2018-04-05 | — | — | WO | disclosed |