Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7996648 | 0.77 | ALDH1A1 (0.35) | ALDH1A1MAPK1IDO1 | |
| SCHEMBL14983441 | 0.75 | ACHE (0.48) | TP53TDP1ACHERELAALDH1A1 | |
| SCHEMBL14983439 | 0.71 | ACHE (0.42) | TDP1ACHERELAALDH1A1MAPK1 | |
| M-Xylene SCHEMBL27880764 | 0.70 | ACHE (0.60) | TP53TDP1ACHERELAALDH1A1 | |
| SCHEMBL5384894 | 0.69 | ACHE (0.58) | TP53TDP1ACHERELAALDH1A1 | |
| SCHEMBL14983438 | 0.69 | ACHE (0.45) | ACHERELAALDH1A1MAPK1LMNA | |
| M-Xylene SCHEMBL11483190 | 0.67 | ACHE (0.71) | TP53TDP1ACHERELAALDH1A1 | |
| M-Xylene SCHEMBL458857 | 0.67 | ACHE (0.71) | TP53TDP1ACHERELAALDH1A1 | |
| SCHEMBL29398358 | 0.66 | ENPP2 (0.56) | ACHEALDH1A1 | |
| SCHEMBL7183051 | 0.66 | ACHE (0.52) | TP53TDP1ACHEALDH1A1MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000010007-A9 | DEVICES AND METHODS FOR ANALYSIS OF NON-IONIC SOLUTES | CALIFORNIA INST OF TECHN (US) | 2000-07-06 | — | — | WO | claimed |
| WO-2000010007-A2 | DEVICES AND METHODS FOR ANALYSIS OF NON-IONIC SOLUTES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2000-02-24 | — | — | WO | claimed |
| WO-2000010007-A9 | DEVICES AND METHODS FOR ANALYSIS OF NON-IONIC SOLUTES | CALIFORNIA INST OF TECHN (US) | 2000-07-06 | — | — | WO | disclosed |
| WO-2000010007-A2 | DEVICES AND METHODS FOR ANALYSIS OF NON-IONIC SOLUTES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2000-02-24 | — | — | WO | disclosed |