Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7788782 | 0.77 | KDM4E (0.47) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8185188 | 0.73 | KDM4E (0.52) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL7791715 | 0.72 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL7900613 | 0.71 | EDNRA (0.57) | EDNRAEDNRB | |
| SCHEMBL21323158 | 0.69 | TSHR (0.68) | ALDH1A1KDM4EHPGDMAPK1NPC1 | |
| SCHEMBL7783638 | 0.69 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDMAPK1NPC1 | |
| SCHEMBL6242139 | 0.68 | KMT2A (0.52) | ALDH1A1MAPK1POLBGAASMN1; SMN2 | |
| SCHEMBL21511063 | 0.68 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDPRKCZMAPK1 | |
| SCHEMBL8577255 | 0.68 | KDM4E (0.57) | ALDH1A1KDM4EHPGDMAPK1NPC1 | |
| SCHEMBL23222980 | 0.67 | TDP1 (0.57) | ALDH1A1KDM4EHPGDNPC1RAB9A |
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-1999020623-A1 | INDOLE DERIVATIVE USEFUL AS ENDOTHELIN RECEPTOR ANTAGONIST | PFIZER LIMITED (GB) | 1999-04-29 | — | — | WO | disclosed |