Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL29532421 | 0.97 | NPC1 (0.56) | NPC1KDM4EALDH1A1CYP3A4TDP1 | |
| SCHEMBL209984 | 0.97 | NPC1 (0.56) | NPC1KDM4EALDH1A1CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL5957727 | 0.94 | NPC1 (0.54) | NPC1KDM4EALDH1A1CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL546210 | 0.94 | NPC1 (0.54) | NPC1KDM4EALDH1A1CYP3A4TDP1 | |
| Benzene SCHEMBL29154358 | 0.91 | ALDH1A1 (0.52) | NPC1KDM4EALDH1A1CYP3A4TDP1 | |
| SCHEMBL11878678 | 0.85 | L3MBTL1 (0.61) | NPC1KDM4EALDH1A1CYP3A4TDP1 | |
| SCHEMBL1708452 | 0.85 | GAA (0.65) | NPC1KDM4EALDH1A1CYP3A4TDP1 | |
| SCHEMBL926329 | 0.84 | L3MBTL1 (0.67) | NPC1KDM4EALDH1A1CYP3A4TDP1 | |
| SCHEMBL17403698 | 0.82 | ALDH1A1 (0.46) | NPC1KDM4EALDH1A1CYP3A4TDP1 | |
| SCHEMBL1225409 | 0.80 | POLB (0.61) | NPC1KDM4EALDH1A1CYP3A4TDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1078033-A1 | METAL LIGAND CONTAINING BLEACHING COMPOSITIONS | CARNEGIE-MELLON UNIVERSITY (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999058634-A1 | METAL LIGAND CONTAINING BLEACHING COMPOSITIONS | CARNEGIE MELLON UNIVERSITY (US) | 1999-11-18 | — | — | WO | disclosed |
| EP-0923635-A2 | METAL LIGAND CONTAINING BLEACHING COMPOSITIONS | CARNEGIE-MELLON UNIVERSITY (US) | 1999-06-23 | — | — | EP | disclosed |
| EP-0918840-A1 | METAL LIGAND CONTAINING BLEACHING COMPOSITIONS | CARNEGIE-MELLON UNIVERSITY (US) | 1999-06-02 | — | — | EP | disclosed |
| WO-1998003626-A2 | METAL LIGAND CONTAINING BLEACHING COMPOSITIONS | UNIV CARNEGIE MELLON (US) | 1998-01-29 | — | — | WO | disclosed |
| WO-1998003625-A1 | METAL LIGAND CONTAINING BLEACHING COMPOSITIONS | CARNEGIE MELLON UNIVERSITY (US) | 1998-01-29 | — | — | WO | disclosed |