Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.95 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.95 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9004577 | 0.97 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL2599658 | 0.97 | — | — | |
| SCHEMBL28690 | 0.97 | — | — | |
| SCHEMBL13478297 | 0.97 | — | — | |
| SCHEMBL1931933 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| Hydrochloric Acid SCHEMBL2772983 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| Bromide SCHEMBL3913876 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| Water SCHEMBL1584914 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL6935237 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL7205000 | 0.95 | — | — |
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-6806289-B1 | SUCH AS AMMINE (2-AMINO-3-PICOLINE) DICHLOROPLATINUM(II); EFFICIENCY AND SELECTIVITY FOR DESTROYING TRANSFORMED CELLS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-10-19 | — | — | US | disclosed |