Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.42 |
| ▸ | CFD | P00746 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | XIAP | P98170 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5202703 | 1.00 | PIN1 (0.42) | PIN1CFDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5206185 | 1.00 | PIN1 (0.42) | PIN1CFDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5205819 | 0.92 | CYP3A4 (0.38) | PIN1CFDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6966683 | 0.91 | CYP3A4 (0.37) | PIN1CFDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5207064 | 0.91 | CYP3A4 (0.37) | PIN1CFDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5205533 | 0.91 | CYP3A4 (0.37) | PIN1CFDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5204637 | 0.88 | DPP4 (0.44) | CTSLCTSBCTSS | |
| SCHEMBL5205516 | 0.88 | DPP4 (0.44) | CTSLCTSBCTSS | |
| SCHEMBL5206341 | 0.84 | PIN1 (0.38) | PIN1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6970042 | 0.82 | PIN1 (0.53) | PIN1CFDKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1333025-A1 | CYANOPYRROLIDINE DERIVATIVES | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2003-08-06 | — | — | EP | disclosed |