Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | MDM4 | O15151 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11289604 | 0.81 | GAA (0.53) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7407714 | 0.80 | RXFP1 (0.51) | CYP1A2CYP2C9CYP2C19MAPK1POLB | |
| SCHEMBL3148472 | 0.77 | NPC1 (0.82) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6498573 | 0.74 | MEN1 (0.54) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8909488 | 0.74 | NPC1 (0.55) | NPC1RAB9AHDAC1HDAC2TP53 | |
| SCHEMBL4642544 | 0.73 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30184438 | 0.73 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1110180 | 0.72 | MDM4 (0.73) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11420927 | 0.71 | NPC1 (0.62) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5213229 | 0.71 | AKR1C3 (0.46) | CYP2C9POLBKMT2AMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101410736-A | Film for display device, polarizing plate and method for producing same, and liquid crystal display device | KONICA MINOLTA OPTO INC (JP) | 2009-04-15 | — | — | CN | disclosed |
| US-4309441-A | HYPOTENSIVE AGENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-01-05 | — | — | US | disclosed |