Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2288747 | 0.79 | AHR (0.64) | AHRPTGS2CYP1A2LMNACYP2A6 | |
| SCHEMBL8015322 | 0.73 | NR4A2 (0.40) | AHRPTGS2CYP1A2LMNACYP2A6 | |
| SCHEMBL8755324 | 0.71 | TNF (0.38) | CYP1A2LMNACYP2A6TP53TSHR | |
| SCHEMBL4458219 | 0.70 | CYP3A4 (0.41) | AHRCYP1A2LMNACYP2A6TP53 | |
| SCHEMBL23638836 | 0.68 | GRM2 (0.49) | AHRPTGS2CYP1A2LMNACYP2A6 | |
| SCHEMBL4453342 | 0.68 | CNR2 (0.53) | AHRPTGS2CYP1A2CYP2A6NPC1 | |
| SCHEMBL2473835 | 0.67 | AHR (0.54) | AHRCYP1A2LMNACYP2A6TP53 | |
| SCHEMBL2933108 | 0.67 | AHR (0.67) | AHRNPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL21081333 | 0.67 | CCNB2 (0.41) | AHRPTGS2LMNAKDM4E | |
| SCHEMBL802670 | 0.67 | PTGS2 (0.38) | PTGS2HSD17B10PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005077868-A2 | CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF | CHIRON AS (NO) | 2005-08-25 | — | — | WO | disclosed |