Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | FABP3 | P05413 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8178571 | 0.88 | ALDH1A1 (0.44) | ALDH1A1LMNAGAAKMT2APOLB | |
| SCHEMBL9712380 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNAGAACES2CES1 | |
| SCHEMBL27321464 | 0.83 | AKR1C3 (0.46) | ALDH1A1LMNAGAAKMT2APOLB | |
| SCHEMBL9712609 | 0.82 | ALDH1A1 (0.59) | ALDH1A1LMNAGAACES2CES1 | |
| SCHEMBL9712460 | 0.81 | BCL2L1 (0.51) | ALDH1A1KMT2AMAPTMEN1HPGD | |
| O-Xylene SCHEMBL27624725 | 0.80 | CES2 (0.54) | ALDH1A1CES2CES1KMT2APOLB | |
| SCHEMBL31611275 | 0.80 | ALDH1A1 (0.46) | ALDH1A1LMNAKMT2APOLBCYP2C9 | |
| SCHEMBL301550 | 0.80 | ALDH1A1 (0.46) | ALDH1A1LMNAKMT2APOLBCYP2C9 | |
| SCHEMBL9712456 | 0.80 | GABRA1 (0.42) | ALDH1A1KMT2APOLBCYP2C9RORC | |
| SCHEMBL14528312 | 0.78 | MAPK13 (0.59) | ALDH1A1LMNAGAACES2CES1 |
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-5117057-A | Insecticidal N' substituted-N-N'-disubstituted-hydrazines | ROHM AND HAAS COMPANY (US) | 1992-05-26 | — | — | US | disclosed |