Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.48 |
| ▸ | CHKA known ✓ | P35790 | 8/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15836427 | 0.98 | ALDH1A1 (0.46) | ACHECHKAALDH1A1LMNAHTT | |
| Bromide SCHEMBL31432631 | 0.81 | ALDH1A1 (0.49) | ACHECHKAALDH1A1LMNAHTT | |
| SCHEMBL5307716 | 0.79 | ALDH1A1 (0.53) | ACHECHKAALDH1A1LMNAHTT | |
| SCHEMBL16809393 | 0.79 | ALDH1A1 (0.50) | ACHECHKAALDH1A1LMNAHTT | |
| Bromide SCHEMBL693845 | 0.79 | NPC1 (0.47) | ACHECHKAALDH1A1LMNAHTT | |
| Hydrochloric Acid SCHEMBL7307884 | 0.78 | ALDH1A1 (0.56) | ACHECHKAALDH1A1LMNAHTT | |
| SCHEMBL11949311 | 0.77 | RAB9A (0.48) | ACHEALDH1A1HTTSMN1; SMN2KDM4E | |
| Bromide SCHEMBL15821503 | 0.77 | ACHE (0.50) | ACHECHKAALDH1A1LMNAHTT | |
| Hydrochloric Acid SCHEMBL1373732 | 0.76 | PKM (0.47) | ACHEALDH1A1LMNAHTTSMN1; SMN2 | |
| Bromide SCHEMBL555083 | 0.75 | CA12 (0.43) | RAB9A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104710346-B | Method for synthesizing cis-1-benzyl-3-methylamino-4-methyl-piperidine | 江苏苏利精细化工股份有限公司 | 2017-04-12 | — | — | CN | claimed |
| CN-104710346-A | Method for synthesizing cis-1-benzyl-3-methylamino-4-methyl-piperidine | JIANGSU SULI FINE CHEMICAL CO LTD | 2015-06-17 | — | — | CN | claimed |
| CN-108610279-A | A kind of method of novel synthesizing cis -1- benzyls -3- methylamino -4- methyl-pis | 江苏苏利精细化工股份有限公司 | 2018-10-02 | — | — | CN | disclosed |
| EP-2935216-B1 | PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF | SUN PHARMACEUTICAL IND LTD (IN) | 2018-06-27 | — | — | EP | disclosed |
| CN-104710346-B | Method for synthesizing cis-1-benzyl-3-methylamino-4-methyl-piperidine | 江苏苏利精细化工股份有限公司 | 2017-04-12 | — | — | CN | disclosed |
| US-9481679-B2 | Process for the preparation of tofacitinib and intermediates thereof | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2016-11-01 | — | — | US | disclosed |
| US-20150322072-A1 | PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF | RANBAXY LABORATORIES LIMITED (IN) | 2015-11-12 | — | — | US | disclosed |
| EP-2935216-A1 | PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF | Ranbaxy Laboratories Limited (IN) | 2015-10-28 | — | — | EP | disclosed |
| CN-104710346-A | Method for synthesizing cis-1-benzyl-3-methylamino-4-methyl-piperidine | JIANGSU SULI FINE CHEMICAL CO LTD | 2015-06-17 | — | — | CN | disclosed |
| WO-2014097150-A1 | PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF | RANBAXY LABORATORIES LIMITED (IN) | 2014-06-26 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150322072-A1 | PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF | JAK3, JAK2, JAK1 | ACHE 4873/4885CHKA 2775/4885ALDH1A1 3248/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.