Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA1 | P15085 | 2/20 | 0.51 |
| ▸ | CPB1 | P15086 | 1/20 | 0.51 |
| ▸ | CPA3 | P15088 | 1/20 | 0.51 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734846 | 0.93 | HPGD (0.59) | CPA1CPB1CPA3CPB2ALDH1A1 | |
| SCHEMBL8973462 | 0.81 | KMT2A (0.56) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL10890190 | 0.79 | KMT2A (0.55) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| SCHEMBL10894262 | 0.79 | KMT2A (0.55) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL10867243 | 0.79 | KMT2A (0.55) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| Dimethylamine SCHEMBL10893716 | 0.79 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| Dimethylamine SCHEMBL10893710 | 0.79 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| SCHEMBL5020552 | 0.79 | DDAH1 (0.71) | ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A | |
| SCHEMBL11017110 | 0.76 | KMT2A (0.54) | ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A | |
| SCHEMBL10888610 | 0.75 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 |
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-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |