Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | DRD4 | P21917 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | GPR139 | Q6DWJ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL2240723 | 0.94 | HDAC3 (0.53) | CYP2C9CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL1768668 | 0.94 | HDAC3 (0.53) | CYP2C9CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL2235821 | 0.93 | CYP2C9 (0.59) | CYP2C9CYP2C19NPC1RAB9ADRD4 | |
| SCHEMBL1768594 | 0.93 | CYP2C9 (0.59) | CYP2C9CYP2C19NPC1RAB9ADRD4 | |
| SCHEMBL2234994 | 0.87 | HDAC3 (0.56) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL2235001 | 0.87 | HDAC3 (0.56) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL2238350 | 0.86 | GAA (0.60) | CYP2C9CYP2C19NPC1RAB9ADRD4 | |
| SCHEMBL2238357 | 0.86 | GAA (0.60) | CYP2C9CYP2C19NPC1RAB9ADRD4 | |
| SCHEMBL1769453 | 0.82 | POLB (0.56) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1769455 | 0.82 | POLB (0.56) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 |
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-2011060832-A1 | TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY | POLYPHOR AG (CH) | 2011-05-26 | — | — | WO | disclosed |