Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2029020 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL29068379 | 0.80 | TRPV1 (0.41) | ALDH1A1MAPTMAPK1RAB9ATSHR | |
| Hydrochloric Acid SCHEMBL9586350 | 0.79 | ALDH1A1 (0.43) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL20505766 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL12012136 | 0.79 | ALDH1A1 (0.48) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL28331504 | 0.76 | TDP1 (0.39) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL746650 | 0.75 | ALDH1A1 (0.45) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL12012134 | 0.75 | ALDH1A1 (0.45) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL25640383 | 0.75 | ALDH1A1 (0.45) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL21078838 | 0.74 | HSD17B10 (0.61) | ALDH1A1MAPK1HPGDTSHRTRPV1 |
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-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |