Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30480022 | 0.81 | CYP11B1 (0.35) | CYP2A6CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL30319508 | 0.77 | ALDH1A1 (0.50) | CYP2A6CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL617000 | 0.77 | ALDH1A1 (0.50) | CYP2A6CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL15652709 | 0.75 | ALDH1A1 (0.48) | CYP2A6CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL29143382 | 0.73 | — | — | |
| SCHEMBL12620100 | 0.73 | — | — | |
| SCHEMBL7919893 | 0.72 | KCNA5 (0.42) | CYP1A2ALDH1A1CYP3A4CYP2D6MAPT | |
| SCHEMBL617213 | 0.71 | CYP3A4 (0.57) | CYP2A6CYP1A2ALDH1A1CYP3A4KDM4E | |
| SCHEMBL4833637 | 0.71 | ALDH1A1 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL4833644 | 0.71 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6218378-B1 | FOR THERAPY OR INHIBITION OF OVARIAN TUMORS, CERVICAL TUMORS, LUNG CANCER AND MELANOMA | GRIFFITH UNIVERSITY (AU) | 2001-04-17 | — | — | US | disclosed |
| US-6159957-A | Method of treatment or inhibition of tumors using pyridyl-substituted metal-diphosphine complexes | GRIFFITH UNIVERSITY (AU) | 2000-12-12 | — | — | US | disclosed |