Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | MC1R | Q01726 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 7/20 | 0.34 |
| ▸ | F10 | P00742 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7362335 | 0.99 | MC4R (0.37) | MC4RMC3RMC1RSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7371045 | 0.92 | ALDH1A1 (0.39) | ALDH1A1MAPTLDHAKDM1AF10 | |
| SCHEMBL7362301 | 0.88 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1MAPTLMNAKMT2A | |
| SCHEMBL7362645 | 0.87 | ITGB3 (0.47) | MC4RMC3RMC1RSMN1; SMN2ALDH1A1 | |
| SCHEMBL7362639 | 0.87 | ITGB3 (0.47) | MC4RMC3RMC1RSMN1; SMN2ALDH1A1 | |
| SCHEMBL7937537 | 0.87 | ITGB3 (0.47) | MC4RMC3RMC1RSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7924926 | 0.87 | ITGB3 (0.47) | MC4RMC3RMC1RSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7362338 | 0.87 | ITGB3 (0.47) | MC4RMC3RMC1RSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7362333 | 0.87 | ITGB3 (0.47) | MC4RMC3RMC1RSMN1; SMN2ALDH1A1 | |
| SCHEMBL7370704 | 0.84 | CYP2D6 (0.38) | ALDH1A1MAPTHRH3TSHRTP53 |
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-0970071-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998039324-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-11 | — | — | WO | disclosed |