Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL7962617 | 0.88 | ALDH1A1 (0.41) | ALDH1A1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7962687 | 0.76 | ALDH1A1 (0.46) | ALDH1A1POLBLMNAL3MBTL1HPGD | |
| SCHEMBL16021172 | 0.75 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1HPGDSMN1; SMN2 | |
| SCHEMBL13589549 | 0.75 | CASR (0.42) | ALDH1A1POLBLMNAL3MBTL1HPGD | |
| SCHEMBL12180527 | 0.74 | SMN1; SMN2 (0.44) | ALDH1A1POLBCYP2C19L3MBTL1USP2 | |
| SCHEMBL7976409 | 0.74 | ALDH1A1 (0.35) | ALDH1A1CYP1A2KMT2A | |
| SCHEMBL8509073 | 0.73 | SMN1; SMN2 (0.51) | ALDH1A1POLBCYP2C19L3MBTL1USP2 | |
| SCHEMBL16019335 | 0.73 | MAPK1 (0.34) | ALDH1A1LMNA | |
| SCHEMBL1038478 | 0.72 | ALDH1A1 (0.36) | ALDH1A1POLBCYP2C19L3MBTL1USP2 | |
| SCHEMBL7976218 | 0.71 | PRKAB2 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2C19LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6211403-B1 | CONTACTING CHLORO COMPOUND WITH CARBON MONOXIDE UNDER PRESSURE WITH HEATING IN PRESENCE OF WATER OR LOWER ALKYL ALCOHOL, BASE, CATALYTIC AMOUNT OF PALLADIUM II HALIDE OR ALKANOATE AND TRIHYDROCARBYLPHOSPHINE CHELANT OR PREFORMED COMPLEX THEREOF | DOW AGROSCIENCES LLC | 2001-04-03 | — | — | US | disclosed |
| US-6015911-A | Process for preparing 1-alkyl-4-(2-chloro-3-alkoxy-4-alkylsulfonylbenzoyl)-5-hydroxypyrazole and related compounds | DOW AGROSCIENCES LLC (US) | 2000-01-18 | — | — | US | disclosed |