Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.56 |
| ▸ | CTSS | P25774 | 4/20 | 0.55 |
| ▸ | CTSL | P07711 | 3/20 | 0.55 |
| ▸ | CTSB | P07858 | 3/20 | 0.55 |
| ▸ | PPARA | Q07869 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | TACR1 | P25103 | 2/20 | 0.53 |
| ▸ | KYNU | Q16719 | 1/20 | 0.53 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | TDO2 | P48775 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13410408 | 1.00 | CTSK (0.56) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL12873775 | 1.00 | CTSK (0.56) | CTSKCTSSCTSLCTSBPPARA | |
| Hydrochloric Acid SCHEMBL1161839 | 0.99 | CTSK (0.55) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL6498057 | 0.90 | KYNU (0.62) | CTSKCTSSCTSLCTSBALDH1A1 | |
| SCHEMBL3249670 | 0.90 | KYNU (0.62) | CTSKCTSSCTSLCTSBALDH1A1 | |
| SCHEMBL27649726 | 0.88 | CTSK (0.54) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL27649725 | 0.88 | CTSK (0.54) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL6200569 | 0.88 | CTSK (0.51) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL7329157 | 0.87 | CTSK (0.58) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL1191975 | 0.87 | CTSK (0.58) | CTSKCTSSCTSLCTSBPPARA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499148-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | Polyphor Ag (CH) | 2012-09-19 | — | — | EP | disclosed |
| EP-2462147-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | Polyphor Ag (CH) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011014973-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | disclosed |
| WO-2011015241-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | disclosed |