Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.71 |
| ▸ | RAB9A | P51151 | 7/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | GAA | P10253 | 2/20 | 0.71 |
| ▸ | PKM | P14618 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 2/20 | 0.51 |
| ▸ | FADS1 | O60427 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 2/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3950826 | 0.89 | KDM4E (0.59) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL3956383 | 0.84 | RAB9A (0.57) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL14867041 | 0.84 | KDM4E (0.54) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL14867050 | 0.84 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL3957092 | 0.84 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL3950334 | 0.84 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL2658434 | 0.83 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL11376781 | 0.83 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL18235580 | 0.83 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL7907992 | 0.83 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 |
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-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |