Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.61 |
| ▸ | CTSB | P07858 | 2/20 | 0.61 |
| ▸ | CTSS | P25774 | 2/20 | 0.61 |
| ▸ | CTSK | P43235 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | DDX3X | O00571 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19675710 | 0.95 | CTSL (0.57) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL8397659 | 0.89 | NPC1 (0.56) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL30321478 | 0.89 | NPC1 (0.56) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL30780915 | 0.86 | MAPT (0.61) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL3475933 | 0.85 | NPC1 (0.67) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL19675959 | 0.83 | NPC1 (0.52) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL27338343 | 0.82 | CTSL (0.58) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL2708330 | 0.81 | MAPT (0.73) | CTSLCTSBCTSSCTSKPOLB | |
| Hydrochloric Acid SCHEMBL29847576 | 0.80 | MAPT (0.71) | CTSLCTSBCTSSCTSKPOLB | |
| Hydrochloric Acid SCHEMBL16514506 | 0.80 | MAPT (0.71) | CTSLCTSBCTSSCTSKPOLB |
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-2089384-A2 | 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008071587-A2 | 2-(PIPERIDIN-4-YL)-4-PHENOXY- OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-19 | — | — | WO | disclosed |