Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.67 |
| ▸ | RAB9A | P51151 | 9/20 | 0.67 |
| ▸ | C1R | P00736 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.60 |
| ▸ | PKM | P14618 | 5/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GALK1 | P51570 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8367944 | 0.84 | NPC1 (0.55) | NPC1RAB9AC1RSMN1; SMN2PKM | |
| SCHEMBL6622504 | 0.82 | C1R (0.52) | NPC1RAB9AC1RSMN1; SMN2PKM | |
| SCHEMBL15022003 | 0.82 | RAB9A (0.78) | NPC1RAB9ASMN1; SMN2PKMMAPT | |
| SCHEMBL1853314 | 0.80 | NPC1 (0.67) | NPC1RAB9AC1RSMN1; SMN2PKM | |
| SCHEMBL22285903 | 0.80 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2PKMMAPT | |
| SCHEMBL8567628 | 0.80 | NPC1 (0.67) | NPC1RAB9AC1RSMN1; SMN2PKM | |
| SCHEMBL12749633 | 0.80 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2PKMMAPT | |
| SCHEMBL10437491 | 0.80 | RAB9A (0.61) | NPC1RAB9AC1RSMN1; SMN2PKM | |
| SCHEMBL14500973 | 0.79 | NPC1 (0.53) | NPC1RAB9AC1RSMN1; SMN2PKM | |
| SCHEMBL11385845 | 0.79 | MAPT (0.64) | NPC1RAB9AC1RSMN1; SMN2PKM |
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 |