Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | ELANE | P08246 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19748762 | 0.86 | CYP1A2 (0.50) | CYP1A2MAPTGAARECQLKMT2A | |
| SCHEMBL27552377 | 0.83 | KDM4E (0.50) | CYP1A2MAPTGAARECQLKMT2A | |
| SCHEMBL498839 | 0.83 | LMNA (0.63) | CYP1A2MAPTGAARECQLKMT2A | |
| SCHEMBL15134857 | 0.82 | KMT2A (0.51) | CYP1A2MAPTGAARECQLKMT2A | |
| SCHEMBL26564348 | 0.81 | LMNA (0.61) | MAPTKMT2AELANEALDH1A1KDM4E | |
| SCHEMBL8644335 | 0.81 | ALDH1A1 (0.46) | CYP1A2MAPTGAARECQLKMT2A | |
| SCHEMBL5740446 | 0.80 | CES2 (0.52) | KMT2AELANEALDH1A1TSHRLMNA | |
| SCHEMBL12119292 | 0.80 | LMNA (0.70) | MAPTGAAKMT2AELANEHSD17B10 | |
| SCHEMBL10720409 | 0.80 | CYP3A4 (0.70) | KMT2AELANELMNACYP3A4MEN1 | |
| SCHEMBL8384042 | 0.79 | NPC1 (0.49) | CYP1A2MAPTGAARECQLKMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591291-A | Bilastine intermediate compound and preparation method thereof | 鲁南制药集团股份有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-105712945-B | 2-substituted oxy-5-methylsulfonyl aryl piperazine amide analogue and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2020-12-01 | — | — | CN | disclosed |
| CN-108794319-A | A kind of preparation method of brufen impurity A | 深圳市祥根生物科技有限公司 | 2018-11-13 | — | — | CN | disclosed |
| CN-103476752-B | Substituted aromatic series sulphur compound and using method thereof | 赛福伦公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-105712945-A | 2-Substituted-oxy-5-methylsulfonyl aryl piperazine acidamide analogue and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-103476752-A | Substituted aromatic sulfur compounds and methods of their use | CEPHALON INC | 2013-12-25 | — | — | CN | disclosed |
| US-5342972-A | Rearranging phenol ester by fries shift, reduction, cyclization | BASF AKTIENGESELLSCHAFT (DE) | 1994-08-30 | — | — | US | disclosed |
| US-5229530-A | 2,2-dialkyl-2,3-dihydro-6-bromobenzofuran | BASF AKTIENGESELLSCHAFT (DE) | 1993-07-20 | — | — | US | disclosed |
| US-5200532-A | Dehydration, cyclization; acidic ion exchange resin and inorganic dessicant | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-06 | — | — | US | disclosed |