Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | FYN | P06241 | 3/20 | 0.39 |
| ▸ | GBA1 | P04062 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GRK5 | P34947 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14785803 | 0.99 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2AL3MBTL1HRH4 | |
| Cadaverine Tartrate SCHEMBL14785678 | 0.93 | HRH4 (0.37) | ALDH1A1MEN1KMT2AL3MBTL1HRH4 | |
| Cadaverine Tartrate SCHEMBL14785676 | 0.93 | HRH4 (0.37) | ALDH1A1MEN1KMT2AL3MBTL1HRH4 | |
| SCHEMBL2401793 | 0.92 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2AL3MBTL1HRH4 | |
| Cadaverine Tartrate SCHEMBL14785947 | 0.87 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AL3MBTL1HRH4 | |
| Cadaverine Tartrate SCHEMBL14785907 | 0.87 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AL3MBTL1HRH4 | |
| Cadaverine Tartrate SCHEMBL14786006 | 0.86 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AL3MBTL1HRH4 | |
| SCHEMBL14785798 | 0.84 | HRH4 (0.43) | HRH4FYNLMNAGRK5POLB | |
| SCHEMBL2402537 | 0.82 | GBA1 (0.40) | ALDH1A1MEN1KMT2AL3MBTL1FYN | |
| SCHEMBL15353914 | 0.82 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2AL3MBTL1FYN |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8859550-B2 | Heterocyclic inhibitors of histamine receptors for the treatment of disease | KALYPSYS, INC. (US) | 2014-10-14 | — | — | US | claimed |
| US-20130245001-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2013-09-19 | — | — | US | claimed |
| WO-2013039785-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2013-03-21 | — | — | WO | claimed |
| US-8859550-B2 | Heterocyclic inhibitors of histamine receptors for the treatment of disease | KALYPSYS, INC. (US) | 2014-10-14 | — | — | US | disclosed |
| US-20130245001-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2013-09-19 | — | — | US | disclosed |
| WO-2013039785-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2013-03-21 | — | — | 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-20130245001-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | HRH4, HRH2, HRH3 | ALDH1A1 2893/4885MEN1 1098/4885KMT2A 742/4885 |
“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.