Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.45 |
| ▸ | ACKR3 | P25106 | 10/20 | 0.45 |
| ▸ | UBE2M | P61081 | 1/20 | 0.44 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27780766 | 0.90 | DRD2 (0.45) | ACKR3ACHECCR3KDR | |
| SCHEMBL27759410 | 0.88 | DRD2 (0.45) | ACKR3ACHECCR3 | |
| SCHEMBL27780761 | 0.88 | ALDH1A1 (0.45) | ACKR3ACHECCR3 | |
| SCHEMBL2821574 | 0.85 | DRD2 (0.54) | PHGDHACHEPRKAA2 | |
| SCHEMBL27780768 | 0.85 | PRKAB2 (0.51) | ACKR3PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL27759411 | 0.84 | ACHE (0.56) | ACHE | |
| SCHEMBL27759404 | 0.84 | UBE2M (0.52) | ACKR3UBE2MDCUN1D1 | |
| SCHEMBL27780767 | 0.82 | ERCC1 (0.50) | ACHECCR3PRKAA2 | |
| SCHEMBL27780762 | 0.81 | ACHE (0.44) | ACKR3UBE2MDCUN1D1ACHECCR3 | |
| SCHEMBL27780769 | 0.81 | ACHE (0.47) | ACKR3ACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-101547915-B | Piperidinylamino-pyridazines and their use as fast dissociating dopamine 2 receptor antagonists | JANSSEN PHARMACEUTICA NV | 2013-08-21 | — | — | CN | disclosed |
| CN-101547915-A | Piperidinylamino-pyridazines and their use as fast dissociating dopamine 2 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2009-09-30 | — | — | CN | disclosed |