Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL596786 | 0.93 | ALDH1A1 (0.50) | ALDH1A1MAOACRHBPCRHR2MGLL | |
| SCHEMBL12266121 | 0.90 | ALDH1A1 (0.47) | ALDH1A1MAOACRHBPCRHR2DHODH | |
| Iodide SCHEMBL7170134 | 0.90 | ALDH1A1 (0.47) | ALDH1A1MAOACRHBPCRHR2TAAR1 | |
| SCHEMBL29968018 | 0.90 | ALDH1A1 (0.47) | ALDH1A1MAOACRHBPCRHR2DHODH | |
| Hydrochloric Acid SCHEMBL9574779 | 0.90 | ALDH1A1 (0.47) | ALDH1A1MAOACRHBPCRHR2MEN1 | |
| Fluoride Ion SCHEMBL8743248 | 0.88 | ALDH1A1 (0.45) | ALDH1A1MAOACRHBPCRHR2MGLL | |
| SCHEMBL7933978 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAOACRHBPCRHR2TAAR1 | |
| SCHEMBL10624682 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAOACRHBPCRHR2MEN1 | |
| SCHEMBL345864 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAOACRHBPCRHR2TAAR1 | |
| SCHEMBL11528963 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAOACRHBPCRHR2TAAR1 |
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-6255532-B1 | REACTING PYRILIUM SALTS WITH PHOSPHINE; CONSTANT PRESSURE; ACID CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-03 | — | — | US | disclosed |