Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 9/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL883642 | 0.88 | MALT1 (0.53) | MALT1ALDH1A1IDO1RECQLMAPT | |
| SCHEMBL18774148 | 0.80 | MALT1 (0.55) | MALT1ALDH1A1IDO1RECQLMAPT | |
| SCHEMBL18771056 | 0.75 | MALT1 (0.48) | MALT1ALDH1A1IDO1RECQLMAPT | |
| SCHEMBL6033555 | 0.70 | MALT1 (0.53) | MALT1ALDH1A1IDO1RECQLMAPT | |
| SCHEMBL18771055 | 0.69 | MALT1 (0.51) | MALT1ALDH1A1IDO1RECQLMAPT | |
| SCHEMBL18774056 | 0.69 | MALT1 (0.65) | MALT1ALDH1A1IDO1RECQLMAPT | |
| SCHEMBL12473069 | 0.69 | MALT1 (0.65) | MALT1ALDH1A1IDO1RECQLMAPT | |
| SCHEMBL10045160 | 0.69 | GPR174 (0.35) | ALDH1A1RECQLMAPTKDM4ERAB9A | |
| SCHEMBL13123207 | 0.68 | MALT1 (0.47) | MALT1ALDH1A1IDO1RECQLMAPT | |
| SCHEMBL12473163 | 0.68 | MALT1 (0.62) | MALT1ALDH1A1IDO1RECQLMAPT |
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-9631041-B2 | PH-sensitive compositions for delivery of beta lapachone and methods of use | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-04-25 | — | — | US | disclosed |