Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.71 |
| ▸ | USP2 | O75604 | 3/20 | 0.69 |
| ▸ | ATM | Q13315 | 2/20 | 0.69 |
| ▸ | CFTR | P13569 | 1/20 | 0.69 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.69 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.69 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13881098 | 0.92 | ABCB1 (0.74) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL12285238 | 0.88 | ABCB1 (0.76) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL15006531 | 0.87 | ABCB1 (0.74) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL12173205 | 0.86 | ABCB1 (0.72) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL20041379 | 0.85 | ABCB1 (0.71) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL16024743 | 0.84 | ABCB1 (0.79) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL10167878 | 0.84 | ABCB1 (0.79) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL20216437 | 0.84 | ABCB1 (0.70) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL268381 | 0.83 | ABCB1 (1.00) | ABCB1USP2ATMCFTRPAX8 | |
| Hydrochloric Acid SCHEMBL29363314 | 0.82 | USP2 (0.98) | ABCB1USP2ATMCFTRPAX8 |
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 |
|---|---|---|---|---|---|---|---|
| US-9987294-B2 | Mitochondria-targeted anti-tumor agents | UNIVERSITY OF MASSACHUSETTS (US) | 2018-06-05 | — | — | US | disclosed |