Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4969138 | 0.87 | ALDH1A1 (0.45) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL29250358 | 0.82 | ALDH1A1 (0.47) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| Glycolic Acid SCHEMBL3075595 | 0.81 | ALDH1A1 (0.46) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL688748 | 0.79 | CA2 (0.41) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL5718430 | 0.76 | CA2 (0.47) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL7635236 | 0.75 | CA2 (0.40) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL2250569 | 0.75 | CA2 (0.50) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL16389850 | 0.75 | ALDH1A1 (0.45) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL28501108 | 0.75 | CA2 (0.46) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL465484 | 0.75 | CA2 (0.46) | CA2ALDH1A1CYP3A4TSHRTDP1 |
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-6462116-B2 | POLYVINYL CHLORIDE(PVC), OR OTHER HALOPOLYMERS; 2-MERCAPTOETHANOL AND ZINC BIS(2-ETHYLHEXYLTHIOGLYCOLATE) FOR EXAMPLE; ELIMINATES ZINC BURN DURING PROCESSING | MORTON INTERNATIONAL, INC. | 2002-10-08 | — | — | US | disclosed |