Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.53 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL671819 | 0.90 | CYP2A6 (0.71) | CYP2A6TSHRNPC1TP53RAB9A | |
| SCHEMBL29453518 | 0.90 | CYP2A6 (0.71) | CYP2A6TSHRNPC1TP53RAB9A | |
| SCHEMBL11151194 | 0.90 | CYP1A2 (0.60) | CYP2A6TSHRNPC1TP53RAB9A | |
| SCHEMBL31491188 | 0.90 | CYP1A2 (0.60) | CYP2A6TSHRNPC1TP53RAB9A | |
| Methane SCHEMBL27895599 | 0.88 | CYP2A6 (0.68) | CYP2A6TSHRNPC1TP53RAB9A | |
| SCHEMBL9862848 | 0.87 | CYP1A2 (0.63) | CYP2A6TSHRNPC1TP53RAB9A | |
| SCHEMBL24370390 | 0.85 | CYP1A2 (0.70) | CYP2A6TSHRNPC1KDM4EALDH1A1 | |
| SCHEMBL2408775 | 0.85 | CYP2A6 (0.80) | CYP2A6TSHRNPC1TP53RAB9A | |
| SCHEMBL31677421 | 0.85 | CYP2A6 (0.80) | CYP2A6TSHRNPC1TP53RAB9A | |
| SCHEMBL30866408 | 0.85 | CYP2A6 (0.80) | CYP2A6TSHRNPC1TP53RAB9A |
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-5053566-A | Catalysis reaction with bromine or chlorine halogenating agent, in the presence of methylene chloride and metal cation containing Type-L zeolite | BAYER AKTIENGESELLSCHAFT (DE) | 1991-10-01 | — | — | US | disclosed |