Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.60 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.60 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.60 |
| ▸ | ITGAV | P06756 | 2/20 | 0.60 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.58 |
| ▸ | CTSL | P07711 | 2/20 | 0.56 |
| ▸ | CTSS | P25774 | 2/20 | 0.56 |
| ▸ | TGM2 | P21980 | 5/20 | 0.55 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 3/20 | 0.52 |
| ▸ | CTSB | P07858 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.51 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.51 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 1/20 | 0.51 |
| ▸ | ECE1 | P42892 | 1/20 | 0.51 |
| ▸ | CPB1 | P15086 | 1/20 | 0.51 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.51 |
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 SCHEMBL1162135 | 0.99 | SIRT2 (0.59) | SIRT2SIRT1ITGB3ITGAVFOLH1 | |
| SCHEMBL12247715 | 0.96 | SIRT2 (0.65) | SIRT2SIRT1ITGB3ITGAVFOLH1 | |
| SCHEMBL12874103 | 0.96 | SIRT2 (0.65) | SIRT2SIRT1ITGB3ITGAVFOLH1 | |
| Hydrochloric Acid SCHEMBL1162427 | 0.95 | SIRT2 (0.64) | SIRT2SIRT1ITGB3ITGAVFOLH1 | |
| SCHEMBL28832879 | 0.92 | SIRT2 (0.56) | SIRT2SIRT1ITGB3FOLH1CTSL | |
| SCHEMBL20272626 | 0.92 | SIRT2 (0.60) | SIRT2SIRT1ITGB3ITGAVFOLH1 | |
| SCHEMBL13043804 | 0.91 | SIRT2 (0.61) | SIRT2SIRT1ITGB3ITGAVCTSL | |
| Hydrochloric Acid SCHEMBL1161917 | 0.91 | SIRT2 (0.55) | SIRT2SIRT1ITGB3FOLH1CTSL | |
| SCHEMBL10421088 | 0.89 | FOLH1 (0.62) | SIRT2SIRT1ITGB3ITGAVFOLH1 | |
| SCHEMBL8387978 | 0.89 | FOLH1 (0.65) | SIRT2SIRT1ITGB3ITGAVFOLH1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102471349-B | Conformationally constrained, fully synthetic macrocyclic compounds | 波利弗尔股份公司 | 2016-08-24 | — | — | CN | disclosed |
| EP-2462147-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | Polyphor Ag (CH) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011015241-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | disclosed |