Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | DUT | P33316 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7744607 | 0.84 | POLB (0.57) | VDRCYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL7750046 | 0.83 | POLB (0.45) | VDRCYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL6447443 | 0.83 | POLB (0.45) | VDRCYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL7679125 | 0.81 | POLB (0.43) | VDRCYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL8368905 | 0.80 | KMT2A (0.43) | VDRCYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL8367979 | 0.79 | HTT (0.47) | VDRCYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL8368924 | 0.79 | ENPP3 (0.46) | CYP2C19HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL6470098 | 0.79 | POLB (0.46) | VDRCYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL7749117 | 0.78 | ALDH1A1 (0.51) | CYP2C19HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL8368908 | 0.78 | ADORA3 (0.47) | CYP2C19MEN1KMT2ACNR1CNR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5965580-A | TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS | SANOFI (FR) | 1999-10-12 | — | — | US | disclosed |
| US-5939411-A | PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES | SANOFI (FR) | 1999-08-17 | — | — | US | disclosed |
| US-5830906-A | Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them | SANOFI (FR) | 1998-11-03 | — | — | US | disclosed |