Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.67 |
| ▸ | MAOB | P27338 | 4/20 | 0.67 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 8/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | MITF | O75030 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18791131 | 0.80 | MAOA (1.00) | MAOAMAOBMAPTALDH1A1LMNA | |
| SCHEMBL24283856 | 0.73 | MAPT (0.49) | AURKAAURKBMAPTALDH1A1LMNA | |
| SCHEMBL29777953 | 0.72 | MAOA (0.57) | MAOAMAOBMAPTALDH1A1LMNA | |
| SCHEMBL15690489 | 0.70 | MAOA (1.00) | MAOAMAOBMAPTALDH1A1LMNA | |
| SCHEMBL10696564 | 0.70 | NSD2 (0.56) | MAPTALDH1A1LMNAPOLBHTT | |
| SCHEMBL7913503 | 0.69 | MAPT (0.61) | AURKAAURKBMAPTALDH1A1LMNA | |
| SCHEMBL28778072 | 0.69 | MAPT (0.60) | MAOAMAOBMAPTALDH1A1LMNA | |
| 2,3-Dibromo-1,4-Naphthoquinone SCHEMBL29475349 | 0.69 | MAPT (0.68) | MAOAAURKAAURKBMAPTALDH1A1 | |
| 2,3-Dibromo-1,4-Naphthoquinone SCHEMBL1240837 | 0.69 | MAPT (0.68) | MAOAAURKAAURKBMAPTALDH1A1 | |
| SCHEMBL10696557 | 0.67 | SIGMAR1 (0.46) | AURKAAURKBMAPTALDH1A1LMNA |
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-2017070012-A1 | LAPACHONE DERIVATIVES CONTAINING TWO REDOX CENTERS AND METHODS OF USE THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-04-27 | — | — | WO | disclosed |