Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | SCN1A | P35498 | 1/20 | 0.51 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12437777 | 0.84 | NPC1 (0.79) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL29531380 | 0.84 | NPC1 (0.79) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL16999800 | 0.81 | USP30 (0.63) | NPC1RAB9AKMT2A | |
| SCHEMBL19976922 | 0.79 | HPGD (0.66) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL19976994 | 0.79 | PGR (0.57) | NPC1RAB9AALDH1A1KDM4EHTT | |
| SCHEMBL19976910 | 0.77 | PGR (0.52) | RAB9ASMN1; SMN2ALDH1A1KDM4EHTT | |
| SCHEMBL8580260 | 0.77 | KDM4C (0.66) | SMN1; SMN2ALDH1A1KDM4EHTTMEN1 | |
| SCHEMBL8580257 | 0.77 | KDM4C (0.66) | SMN1; SMN2ALDH1A1KDM4EHTTMEN1 | |
| SCHEMBL19977019 | 0.77 | ALDH1A1 (0.61) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL1106971 | 0.75 | KDM4E (0.63) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9919998-B2 | Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2018-03-20 | — | — | US | disclosed |