Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.41 |
| ▸ | RAB9A | P51151 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 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 | |
|---|---|---|---|---|
| SCHEMBL21654646 | 0.89 | PTK2 (0.46) | EGFRSMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL21654528 | 0.85 | EGFR (0.42) | EGFRSMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL21654702 | 0.84 | PTK2 (0.41) | SMN1; SMN2RAB9ANPC1HPGDTSHR | |
| SCHEMBL21654808 | 0.78 | PTGER1 (0.38) | SMN1; SMN2NPC1HPGDALOX12KMT2A | |
| SCHEMBL21654650 | 0.78 | PTK2 (0.44) | SMN1; SMN2RAB9ANPC1HPGDKMT2A | |
| SCHEMBL21654539 | 0.78 | PTK2 (0.47) | EGFRSMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL21654694 | 0.78 | RAB9A (0.46) | EGFRSMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL21654541 | 0.77 | PTK2 (0.48) | EGFRSMN1; SMN2NPC1HPGDTSHR | |
| SCHEMBL21654763 | 0.76 | NPC1 (0.41) | EGFRSMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL21654698 | 0.76 | TP53 (0.36) | SMN1; SMN2RAB9ANPC1HPGDALOX12 |
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 |