Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3381548 | 0.79 | ALDH1A1 (0.36) | ALDH1A1GPR3HSD17B10HTTKDM4E | |
| SCHEMBL7404828 | 0.79 | HTR2A (0.36) | ALDH1A1GPR3HSD17B10HTTKDM4E | |
| SCHEMBL640081 | 0.79 | KIF11 (0.39) | ALDH1A1GPR3HSD17B10HTTKDM4E | |
| SCHEMBL1641591 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10KDM4EMAPTMEN1 | |
| SCHEMBL6470274 | 0.76 | CHRNB2 (0.41) | ALDH1A1GPR3HSD17B10KDM4EGPR84 | |
| SCHEMBL16432092 | 0.76 | TAAR1 (0.46) | ALDH1A1GPR3HSD17B10KDM4EMAPT | |
| SCHEMBL6709570 | 0.76 | KMT2A (0.46) | ALDH1A1HSD17B10HTTTSHRKDM4E | |
| SCHEMBL3650259 | 0.75 | ALDH1A1 (0.36) | ALDH1A1GPR3HSD17B10HTTKDM4E | |
| SCHEMBL928608 | 0.75 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TSHRKDM4EPOLB | |
| SCHEMBL4142895 | 0.73 | KDM4E (0.42) | ALDH1A1HSD17B10TSHRKDM4ECYP3A4 |
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-2007137168-A2 | BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-11-29 | — | — | WO | disclosed |