Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DEGS1 | O15121 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 6/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.60 |
| ▸ | CNR1 | P21554 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.57 |
| ▸ | PTGES | O14684 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL15778699 | 0.84 | FADS1 (0.68) | DEGS1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL12247950 | 0.83 | NPC1 (0.69) | DEGS1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL4254011 | 0.83 | RAB9A (0.68) | RAB9ANPC1MEN1KMT2AGRM4 | |
| SCHEMBL28048605 | 0.82 | FADS1 (0.63) | DEGS1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL28093056 | 0.80 | PTGS1 (0.72) | RAB9ANPC1MEN1KMT2ACNR1 | |
| SCHEMBL10489740 | 0.80 | NPC1 (0.69) | RAB9ANPC1MEN1KMT2AGRM4 | |
| SCHEMBL26889396 | 0.80 | DEGS1 (0.79) | DEGS1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL15778885 | 0.79 | DEGS1 (0.64) | DEGS1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL31150345 | 0.79 | DEGS1 (0.78) | DEGS1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL368228 | 0.79 | DEGS1 (0.78) | DEGS1RAB9ANPC1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101602750-B | Naphthyl, (replacement) aryl, piperazinyl amidine compounds | INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-05-18 | — | — | CN | disclosed |