Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 4/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7480378 | 0.95 | CASP3 (0.47) | CASP3NPC1RAB9AIDO1TDO2 | |
| SCHEMBL7484149 | 0.81 | DDB1 (0.33) | BRD4CREBBPPARP1 | |
| SCHEMBL7833079 | 0.75 | TSHR (0.45) | NPC1RAB9ACYP3A4TSHRPTPN1 | |
| SCHEMBL3811403 | 0.69 | NPC1 (0.68) | CASP3NPC1RAB9ACYP3A4HDAC3 | |
| SCHEMBL3784499 | 0.66 | NPC1 (0.59) | CASP3NPC1RAB9AHDAC3HDAC1 | |
| SCHEMBL3789479 | 0.65 | CASP3 (0.60) | CASP3NPC1RAB9AHDAC3HDAC1 | |
| SCHEMBL3789191 | 0.65 | NPC1 (0.61) | CASP3NPC1RAB9AHDAC3HDAC1 | |
| SCHEMBL7836971 | 0.65 | CREBBP (0.46) | NPC1BRD4CREBBP | |
| SCHEMBL3792921 | 0.65 | NPC1 (0.57) | CASP3NPC1RAB9AHDAC3HDAC1 | |
| SCHEMBL1961986 | 0.64 | NPC1 (0.50) | CASP3NPC1RAB9ATSHRPLAU |
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 |
|---|---|---|---|---|---|---|---|
| EP-1227090-A1 | AMINE DERIVATIVES | Tadeka Chemical Industries, Ltd. (JP) | 2002-07-31 | — | — | EP | disclosed |