Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31491188 | 0.97 | CYP1A2 (0.60) | CYP1A2PTGS2PTGS1TSHRCYP2A6 | |
| SCHEMBL11151194 | 0.97 | CYP1A2 (0.60) | CYP1A2PTGS2PTGS1TSHRCYP2A6 | |
| SCHEMBL18045052 | 0.97 | CYP1A2 (0.68) | CYP1A2PTGS2PTGS1TSHRCYP2A6 | |
| SCHEMBL1742859 | 0.94 | CYP1A2 (0.74) | CYP1A2PTGS2PTGS1TSHRCYP2A6 | |
| SCHEMBL29926517 | 0.94 | CYP1A2 (0.74) | CYP1A2PTGS2PTGS1TSHRCYP2A6 | |
| SCHEMBL24370390 | 0.92 | CYP1A2 (0.70) | CYP1A2PTGS2PTGS1TSHRCYP2A6 | |
| Hydrogen Sulfide SCHEMBL27493182 | 0.92 | CYP1A2 (0.70) | CYP1A2PTGS2PTGS1TSHRCYP2A6 | |
| SCHEMBL24944449 | 0.92 | CYP1A2 (0.79) | CYP1A2PTGS2PTGS1TSHRCYP2A6 | |
| SCHEMBL9863007 | 0.87 | CYP2A6 (0.58) | CYP1A2PTGS2PTGS1TSHRCYP2A6 | |
| SCHEMBL29453518 | 0.86 | CYP2A6 (0.71) | CYP1A2PTGS2PTGS1TSHRCYP2A6 |
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-103890133-A | Photochromic and Electrochromic Diarylcyclopentene Derivatives as Optical Filters | SWITCH MATERIALS INC | 2014-06-25 | — | — | CN | disclosed |
| 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 |