Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 2/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.47 |
| ▸ | RORB | Q92753 | 5/20 | 0.46 |
| ▸ | RORC | P51449 | 3/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | KMO | O15229 | 2/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13334350 | 0.83 | PTPN1 (0.46) | ALDH1A1SMN1; SMN2AKR1C3AKR1C2NPC1 | |
| SCHEMBL4553643 | 0.81 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL6277246 | 0.79 | GPR35 (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL3911033 | 0.78 | PTPN1 (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL12466271 | 0.76 | ADORA1 (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL2744459 | 0.72 | SLC1A3 (0.54) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL179120 | 0.72 | SLC1A3 (0.54) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL5851623 | 0.72 | RORC (0.54) | ALDH1A1SMN1; SMN2KDM4EXDHPIN1 | |
| SCHEMBL979633 | 0.72 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL1398676 | 0.72 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E |
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-2125739-A1 | MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079371-A1 | MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |