Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.56 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.56 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5480908 | 0.84 | ALDH1A1 (0.57) | TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E | |
| SCHEMBL6970353 | 0.82 | S1PR2 (0.47) | TAS1R3TAS1R1TAS1R2ALDH1A1RAB9A | |
| SCHEMBL567975 | 0.81 | ALDH1A1 (0.76) | TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E | |
| SCHEMBL31287794 | 0.81 | ALDH1A1 (0.76) | TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E | |
| SCHEMBL6964278 | 0.80 | ALDH1A1 (0.58) | TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E | |
| SCHEMBL837798 | 0.80 | ALDH1A1 (0.56) | TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E | |
| SCHEMBL931870 | 0.80 | ALDH1A1 (0.52) | TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E | |
| SCHEMBL5761347 | 0.80 | ALDH1A1 (0.52) | TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E | |
| SCHEMBL661794 | 0.79 | TAS1R3 (0.69) | TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E | |
| SCHEMBL13570729 | 0.78 | ALDH1A1 (0.50) | TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E |
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-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |