Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | OTUD7B | Q6GQQ9 | 1/20 | 0.39 |
| ▸ | NEK2 | P51955 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | NEK7 | Q8TDX7 | 1/20 | 0.38 |
| ▸ | SMO | Q99835 | 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 | |
|---|---|---|---|---|
| SCHEMBL38333 | 0.79 | CYP2C9 (0.46) | ALDH1A1HSD17B10CYP3A4HPGDUSP2 | |
| SCHEMBL24996458 | 0.79 | OTUD7B (0.37) | CYP1A2OTUD7B | |
| SCHEMBL30763484 | 0.79 | OTUD7B (0.37) | CYP1A2OTUD7B | |
| SCHEMBL7010528 | 0.78 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP3A4HPGDUSP2 | |
| Hydrochloric Acid SCHEMBL7012082 | 0.78 | CYP2C9 (0.44) | ALDH1A1HSD17B10CYP3A4HPGDUSP2 | |
| SCHEMBL24496257 | 0.76 | OTUD7B (0.35) | CYP1A2OTUD7B | |
| SCHEMBL25227493 | 0.76 | OTUD7B (0.35) | ALDH1A1HSD17B10HPGDUSP2CYP1A2 | |
| SCHEMBL29734683 | 0.76 | OTUD7B (0.35) | CYP1A2OTUD7B | |
| SCHEMBL22058416 | 0.73 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP3A4HPGDUSP2 | |
| SCHEMBL12566957 | 0.73 | POLB (0.49) | TSHRALOX15OPRD1OPRK1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129089-A4 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2003-01-22 | — | — | EP | disclosed |
| EP-1129089-A1 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000027845-A1 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-05-18 | — | — | WO | disclosed |