Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5762658 | 1.00 | ALDH1A1 (0.41) | ALDH1A1POLBHTTTDP1HTR2A | |
| SCHEMBL7507639 | 1.00 | ALDH1A1 (0.41) | ALDH1A1POLBHTTTDP1HTR2A | |
| SCHEMBL7498817 | 0.82 | MCL1 (0.49) | ALDH1A1MCL1 | |
| SCHEMBL7498812 | 0.82 | MCL1 (0.49) | ALDH1A1MCL1 | |
| SCHEMBL5762677 | 0.82 | MCL1 (0.49) | ALDH1A1MCL1 | |
| SCHEMBL8040352 | 0.82 | MCL1 (0.49) | ALDH1A1MCL1 | |
| SCHEMBL8037274 | 0.81 | MCL1 (0.48) | ALDH1A1TDP1MCL1 | |
| SCHEMBL4134145 | 0.80 | FFAR1 (0.49) | ALDH1A1POLBHTTTDP1HTR2A | |
| SCHEMBL14549996 | 0.80 | FFAR1 (0.49) | ALDH1A1POLBHTTTDP1HTR2A | |
| SCHEMBL18631695 | 0.80 | FFAR1 (0.49) | ALDH1A1POLBHTTTDP1HTR2A |
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-1192133-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076972-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |