Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 8/20 | 0.45 |
| ▸ | CES1 | P23141 | 7/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL5694637 | 1.00 | CES2 (0.45) | CES2CES1AKR1C1LMNAMAPT | |
| SCHEMBL165294 | 0.84 | AKR1C1 (0.59) | CES2CES1AKR1C1LMNAMAPT | |
| SCHEMBL164579 | 0.84 | AKR1C1 (0.59) | CES2CES1AKR1C1LMNAMAPT | |
| SCHEMBL164580 | 0.84 | AKR1C1 (0.59) | CES2CES1AKR1C1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL3674640 | 0.82 | AKR1C1 (0.57) | CES2CES1AKR1C1LMNAMAPT | |
| SCHEMBL10476789 | 0.82 | CES2 (0.67) | CES2CES1LMNAMAPTNPSR1 | |
| SCHEMBL28474399 | 0.80 | ALDH1A1 (0.56) | CES2CES1AKR1C1LMNAMAPT | |
| SCHEMBL5694676 | 0.80 | NR4A1 (0.50) | CES2CES1LMNAMAPTNPSR1 | |
| SCHEMBL5694662 | 0.80 | NR4A1 (0.50) | CES2CES1LMNAMAPTNPSR1 | |
| SCHEMBL761381 | 0.80 | CES2 (0.65) | CES2CES1LMNAMAPTNPSR1 |
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-1094055-B1 | NOVEL VINYLBENZENE DERIVATIVES | SANTEN PHARMACEUTICAL CO LTD (JP) | 2006-04-26 | — | — | EP | disclosed |
| US-6329547-B1 | USEFUL AS THERAPEUTIC AGENTS FOR GLAUCOMA | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2001-12-11 | — | — | US | disclosed |
| EP-1094055-A1 | NOVEL VINYLBENZENE DERIVATIVES | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2001-04-25 | — | — | EP | disclosed |