Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.80 |
| ▸ | RAB9A | P51151 | 5/20 | 0.80 |
| ▸ | DHFR | P00374 | 3/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL672681 | 0.89 | NPC1 (1.00) | NPC1RAB9ADHFRHTR6HRH4 | |
| SCHEMBL11400612 | 0.84 | NPC1 (0.60) | NPC1RAB9ADHFRADORA3ALDH1A1 | |
| SCHEMBL6986219 | 0.84 | ADORA1 (0.67) | NPC1RAB9AHRH4ADORA3ADORA2A | |
| SCHEMBL27774680 | 0.84 | NPC1 (0.57) | NPC1RAB9ADHFRHTR6HRH4 | |
| SCHEMBL2250601 | 0.83 | ADORA2A (0.72) | NPC1RAB9AHRH4ADORA3ADORA2A | |
| SCHEMBL30205277 | 0.83 | ADORA2A (0.72) | NPC1RAB9AHRH4ADORA3ADORA2A | |
| SCHEMBL10923751 | 0.79 | RAB9A (0.82) | NPC1RAB9ADHFRHRH4ADORA1 | |
| SCHEMBL6584030 | 0.77 | HRH4 (0.56) | NPC1RAB9ADHFRHRH4ADORA3 | |
| SCHEMBL20894683 | 0.77 | CYP1A2 (0.58) | NPC1RAB9AADORA3ADORA2AADORA1 | |
| SCHEMBL9869365 | 0.77 | NPC1 (0.68) | NPC1RAB9ADHFRADORA3ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021009206-A1 | COMPOUND AND AN ORGANIC SEMICONDUCTING LAYER, AN ORGANIC ELECTRONIC DEVICE, A DISPLAY DEVICE AND A LIGHTING DEVICE COMPRISING THE SAME | NOVALED GMBH (DE) | 2021-01-21 | — | — | WO | disclosed |
| WO-2015155129-A1 | DIAMINOTRIAZINE COMPOUND | BASF SE (DE) | 2015-10-15 | — | — | WO | disclosed |
| EP-0066799-B1 | NICOTINIC ACID DERIVATIVES | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1986-01-02 | — | — | EP | disclosed |
| US-4415570-A | TREATMENT FOR RHEMATIC DISEASES AND ALLERGIC NEPHRYTIS; UROGENITAL DISORDERS | NIPPON SHINYAKU CO. LTD. (JP) | 1983-11-15 | — | — | US | disclosed |
| US-4333933-A | ANTIINFLAMMATORY, REACTING HALO BENZOGUANAMINE WITH NICOTINE ACID DERIVAGIVE | NIPPON SHINYAKU CO., LTD. (JP) | 1982-06-08 | — | — | US | disclosed |