Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.55 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.55 |
| ▸ | BTK | Q06187 | 1/20 | 0.53 |
| ▸ | ACKR3 | P25106 | 12/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CCR3 | P51677 | 1/20 | 0.52 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.51 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.51 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 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 SCHEMBL4229523 | 0.91 | SIRT1 (0.51) | KCNH2MCHR2MCHR1BTKACKR3 | |
| SCHEMBL15933654 | 0.85 | ACHE (0.58) | KCNH2MCHR2MCHR1ACKR3CCR3 | |
| SCHEMBL10702311 | 0.85 | KDM4E (0.67) | BTKACKR3MEN1TSHRKMT2A | |
| SCHEMBL16665723 | 0.84 | ALDH1A1 (0.69) | KCNH2MCHR1MEN1KMT2AACHE | |
| SCHEMBL7600247 | 0.84 | KDM4E (0.69) | BTKACKR3MEN1TSHRKMT2A | |
| SCHEMBL11000210 | 0.84 | MEN1 (0.51) | KCNH2MCHR2MCHR1BTKACKR3 | |
| Hydrochloric Acid SCHEMBL16654841 | 0.83 | ALDH1A1 (0.68) | KCNH2MCHR1MEN1KMT2AACHE | |
| SCHEMBL17754101 | 0.82 | SMN1; SMN2 (0.63) | BTKACKR3MEN1TSHRKMT2A | |
| SCHEMBL30577399 | 0.82 | SMN1; SMN2 (0.63) | BTKACKR3MEN1TSHRKMT2A | |
| SCHEMBL11926135 | 0.82 | CHRM3 (0.69) | BTKMEN1TSHRKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |