Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NNMT | P40261 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8296344 | 0.86 | SMN1; SMN2 (0.49) | MAPK8SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL8296331 | 0.81 | ALDH1A1 (0.39) | MAPK8SMN1; SMN2HPGDHTR4NPC1 | |
| SCHEMBL8295673 | 0.78 | PARP1 (0.39) | MAPK8PARP1SMN1; SMN2HPGDNNMT | |
| SCHEMBL8296894 | 0.70 | — | — | |
| SCHEMBL21643837 | 0.70 | ALDH1A1 (0.44) | PARP1SMN1; SMN2HTR4MEN1MAPT | |
| SCHEMBL13315461 | 0.69 | SMN1; SMN2 (0.44) | MAPK8SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL5042500 | 0.69 | HTR4 (0.51) | PARP1HTR4 | |
| SCHEMBL14419802 | 0.69 | PARP1 (0.39) | MAPK8PARP1NNMTHTR4MEN1 | |
| SCHEMBL8297068 | 0.69 | SMN1; SMN2 (0.41) | SMN1; SMN2HTR4KDM4EKMT2A | |
| SCHEMBL8302727 | 0.68 | KDM4E (0.36) | SMN1; SMN2HPGDNPC1RAB9AKDM4E |
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-2005003122-A1 | 5HT4-ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-01-13 | — | — | WO | disclosed |