Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.58 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28097460 | 0.82 | LMNA (0.52) | CYP11B2CYP11B1CYP1A2CYP3A4CYP1B1 | |
| Pyridine SCHEMBL27551335 | 0.81 | CYP11B2 (0.59) | CYP11B2CYP11B1CYP19A1CYP1A1CYP1A2 | |
| Toluene SCHEMBL11733987 | 0.80 | LMNA (0.55) | CYP11B2CYP11B1CYP19A1CYP1A2CYP3A4 | |
| 3-Methylpyridine SCHEMBL8308038 | 0.80 | CYP2A6 (0.52) | CYP11B2CYP11B1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL27493408 | 0.78 | — | — | |
| SCHEMBL21872269 | 0.78 | — | — | |
| SCHEMBL10282540 | 0.78 | TSHR (0.50) | CYP11B2CYP11B1CYP19A1CYP1A2CYP3A4 | |
| 3-Methylpyridine SCHEMBL820155 | 0.78 | CYP2A6 (0.54) | CYP1A2CYP3A4RAB9AALDH1A1NPC1 | |
| 3-Methylpyridine SCHEMBL10530 | 0.78 | — | — | |
| 3-Methylpyridine SCHEMBL29361018 | 0.78 | — | — |
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-100519529-C | Vapor phase catalytic chlorination of beta-picoline | DOW AGROSCIENCES LLC (US) | 2009-07-29 | — | — | CN | disclosed |
| CN-1934085-A | Vapor phase catalytic chlorination of beta-picoline | DOW AGROSCIENCES LLC (US) | 2007-03-21 | — | — | CN | disclosed |