Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17845615 | 0.84 | ROCK2 (0.46) | ROCK2NPC1RAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL17845583 | 0.84 | ROCK2 (0.46) | ROCK2NPC1RAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL17845604 | 0.82 | GAA (0.47) | NPC1RAB9AL3MBTL1ALDH1A1MEN1 | |
| SCHEMBL17845650 | 0.79 | FADS1 (0.50) | NPC1RAB9AALDH1A1LMNAMEN1 | |
| SCHEMBL17845575 | 0.79 | KDM4E (0.43) | ROCK2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL17845573 | 0.79 | KMT2A (0.39) | NPC1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL1298275 | 0.75 | ALDH1A1 (0.54) | ROCK2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL29724427 | 0.75 | ALDH1A1 (0.54) | ROCK2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL2481941 | 0.72 | NPC1 (0.57) | ROCK2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL17845540 | 0.71 | RAB9A (0.43) | ROCK2NPC1RAB9AL3MBTL1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233860-A1 | SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS | Univerzita Palackého V Olomouci (CZ) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016095881-A1 | SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2016-06-23 | — | — | WO | disclosed |