Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 3/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL737064 | 0.86 | HRH3 (0.46) | HRH3KCNH2MAOAMAOBCACNA1B | |
| Trifluoroacetic Acid SCHEMBL738381 | 0.80 | HRH3 (0.61) | HRH3KCNH2HRH1HTR1ADRD2 | |
| SCHEMBL738460 | 0.80 | HRH3 (0.59) | HRH3KCNH2HRH1 | |
| Trifluoroacetic Acid SCHEMBL737095 | 0.77 | HRH3 (0.55) | HRH3KCNH2CACNA1BHRH1KDM4E | |
| Trifluoroacetic Acid SCHEMBL736467 | 0.77 | CACNA1B (0.49) | HRH3KCNH2CACNA1BHRH1KDM4E | |
| Trifluoroacetic Acid SCHEMBL735635 | 0.76 | HRH3 (0.57) | HRH3KCNH2CACNA1BHRH1KDM4E | |
| Trifluoroacetic Acid SCHEMBL736416 | 0.76 | HRH3 (0.47) | HRH3KCNH2CACNA1BHRH1HTR1A | |
| Trifluoroacetic Acid SCHEMBL737476 | 0.76 | HRH3 (0.55) | HRH3KCNH2CACNA1BKDM4EPOLB | |
| Trifluoroacetic Acid SCHEMBL735244 | 0.75 | CACNA1B (0.47) | HRH3KCNH2CACNA1BHRH1KDM4E | |
| Trifluoroacetic Acid SCHEMBL736059 | 0.75 | CACNA1B (0.44) | HRH3KCNH2MAOAMAOBCACNA1B |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138206-B2 | Piperidine derivative | MSD. K.K. (JP) | 2012-03-20 | — | — | US | claimed |
| US-20090137576-A1 | Novel Piperidine Derivative | MSD K.K. (JP) | 2009-05-28 | — | — | US | claimed |
| EP-1892241-A1 | NOVEL PIPERIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-02-27 | — | — | EP | claimed |
| US-9949480-B2 | N-alkylthio beta-lactams, alkyl-coenzyme A asymmetric disulfides, and aryl-alkyl disulfides as anti-bacterial agents | UNIVERSITY OF SOUTH FLORIDA (US) | 2018-04-24 | — | — | US | disclosed |
| US-20150327547-A1 | N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2015-11-19 | — | — | US | disclosed |
| US-9096635-B2 | N-alkylthio beta-lactams, alkyl-coenzyme A asymmetric disulfides, and aryl-alkyl disulfides as anti-bacterial agents | UNIVERSITY OF SOUTH FLORIDA (US) | 2015-08-04 | — | — | US | disclosed |
| US-20140235565-A1 | N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-08-21 | — | — | US | disclosed |
| US-8722937-B2 | Asymmetric disulfides and aryl-alkyl disulfides as anti-bacterial agents | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-05-13 | — | — | US | disclosed |
| US-8138206-B2 | Piperidine derivative | MSD. K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-20090137576-A1 | Novel Piperidine Derivative | MSD K.K. (JP) | 2009-05-28 | — | — | US | disclosed |
| US-20080182815-A1 | Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) | UNIVERSITY OF SOUTH FLORIDA | 2008-07-31 | — | — | US | disclosed |
| EP-1892241-A1 | NOVEL PIPERIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-02-27 | — | — | EP | 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 (4 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-20080182815-A1 | Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) | SQOR, TST, COASY | HRH3 3934/4885KCNH2 1924/4885MAOA 349/4885 |
| US-20090137576-A1 | Novel Piperidine Derivative | HRH4, HRH3, HRH1 | HRH3 2/4885KCNH2 308/4885MAOA 1493/4885 |
| US-20150327547-A1 | N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS | COASY, SQOR, TST | HRH3 4602/4885KCNH2 2165/4885MAOA 418/4885 |
| US-20140235565-A1 | N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS | COASY, SQOR, TST | HRH3 4602/4885KCNH2 2165/4885MAOA 418/4885 |
“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.