Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27792877 | 0.93 | ALDH1A1 (0.60) | ALDH1A1LMNAKDM4EADRA2AADRA2C | |
| SCHEMBL4357847 | 0.77 | ALDH1A1 (0.64) | ALDH1A1LMNAKDM4EADRA2AADRA2C | |
| SCHEMBL27567836 | 0.76 | ALDH1A1 (0.68) | ALDH1A1LMNAKDM4EADRA2AADRA2C | |
| SCHEMBL2723342 | 0.76 | ALDH1A1 (0.62) | ALDH1A1LMNAKDM4EADRA2AADRA2C | |
| Formic Acid SCHEMBL28071381 | 0.75 | ADRA2A (0.50) | ALDH1A1LMNAKDM4EADRA2AADRA2C | |
| SCHEMBL28061387 | 0.75 | LMNA (0.39) | ALDH1A1LMNAKDM4EADRA2AADRA2C | |
| (1S,2R)-Phenylpropanolamine SCHEMBL17294109 | 0.74 | KDM4E (0.80) | ALDH1A1LMNAKDM4EADRA2AADRA2C | |
| Hydrochloric Acid SCHEMBL320520 | 0.74 | ALDH1A1 (0.48) | ALDH1A1LMNAKDM4EADRA2AADRA2C | |
| Phenylpropanolamine SCHEMBL17294111 | 0.74 | KDM4E (0.80) | ALDH1A1LMNAKDM4EADRA2AADRA2C | |
| SCHEMBL498380 | 0.74 | LMNA (0.50) | ALDH1A1LMNAKDM4EADRA2AADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-105431571-A | Organic disulfide based corrosion inhibitors | ECOLAB USA INC | 2016-03-23 | — | — | CN | claimed |
| CN-105431571-A | Organic disulfide based corrosion inhibitors | ECOLAB USA INC | 2016-03-23 | — | — | CN | disclosed |