Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Salicylic Acid SCHEMBL28702974 | 0.89 | HPGD (0.62) | ALDH1A1ALOX15KDM4ECA12CA1 | |
| Phthalic Acid SCHEMBL1665835 | 0.87 | ALDH1A1 (0.74) | ALDH1A1ALOX15AKR1C3KDM4ECA12 | |
| Phthalic Acid SCHEMBL5874844 | 0.85 | ALDH1A1 (0.70) | ALDH1A1ALOX15AKR1C3KDM4ECA12 | |
| Phthalic Acid SCHEMBL5874861 | 0.85 | ALDH1A1 (0.70) | ALDH1A1ALOX15AKR1C3KDM4ECA12 | |
| Benzoic Acid SCHEMBL28506011 | 0.84 | TSHR (0.56) | ALDH1A1HPGDNAPRTHSD17B10SIGMAR1 | |
| Phthalic Acid SCHEMBL5875064 | 0.79 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4ECA12 | |
| Phthalic Acid SCHEMBL5875074 | 0.79 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4ECA12 | |
| Phthalic Acid SCHEMBL2288796 | 0.78 | ALDH1A1 (0.93) | ALDH1A1ALOX15AKR1C3KDM4ECA12 | |
| Biphenyl SCHEMBL6770952 | 0.76 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDSMN1; SMN2MAPT | |
| Thiomorpholine SCHEMBL29036092 | 0.75 | GABRP (0.38) | CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999010561-A1 | CORROSION INHIBITOR FOR ALKANOLAMINE UNITS | BETZDEARBORN INC. (US) | 1999-03-04 | — | — | WO | disclosed |