Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | SREBF2 | Q12772 | 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 | |
|---|---|---|---|---|
| SCHEMBL7847267 | 0.84 | ACACB (0.36) | CCR1CCR5CCR8AAK1ACACB | |
| SCHEMBL7240471 | 0.78 | CCR1 (0.34) | CCR1CCR5CCR8AAK1DYRK1A | |
| SCHEMBL7846735 | 0.72 | CNR1 (0.40) | AAK1ACACBACACA | |
| SCHEMBL7843889 | 0.72 | PLAU (0.37) | CCR1CCR5CCR8USP2ALDH1A1 | |
| SCHEMBL7843891 | 0.72 | PLAU (0.37) | CCR1CCR5CCR8USP2ALDH1A1 | |
| SCHEMBL7230744 | 0.70 | AAK1 (0.40) | CCR1CCR5CCR8AAK1ACACB | |
| SCHEMBL29597741 | 0.70 | CTSL (0.38) | CTSLCTSBALDH1A1CYP1A2 | |
| SCHEMBL7239061 | 0.69 | AAK1 (0.41) | CCR1CCR5CCR8AAK1 | |
| SCHEMBL7232327 | 0.69 | CCR1 (0.38) | CCR1CCR5CCR8AAK1 | |
| SCHEMBL7229573 | 0.69 | CCR1 (0.40) | CCR1CCR5CCR8AAK1ACACB |
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-1157022-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000049015-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-08-24 | — | — | WO | disclosed |