Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACSS2 | Q9NR19 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20495073 | 0.90 | NPC1 (0.42) | NPC1RAB9ACASP3SMN1; SMN2SENP8 | |
| SCHEMBL20495470 | 0.85 | FAAH (0.39) | ACSS2HDAC6ALOX5AP | |
| SCHEMBL2362098 | 0.77 | KDM4E (0.55) | ACSS2NPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL20495236 | 0.76 | KDM4E (0.46) | NPC1RAB9AALDH1A1HSD17B10HPGD | |
| SCHEMBL17161508 | 0.72 | CFTR (0.46) | NPC1RAB9APIK3CALMNAMAPT | |
| SCHEMBL17092707 | 0.70 | MAPT (0.45) | NPC1RAB9ASMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL3370266 | 0.68 | HCAR3 (0.50) | ACSS2NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL10238325 | 0.67 | KDM4E (0.52) | ACSS2NPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL2596342 | 0.67 | SMN1; SMN2 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL2362614 | 0.65 | KDM4E (0.56) | ACSS2ALDH1A1HSD17B10HPGDKDM4E |
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-2018165612-A1 | BACTERIAL EFFLUX PUMP INHIBITORS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2018-09-13 | — | — | WO | disclosed |