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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.59 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.59 |
| ▸ | PDE5A | O76074 | 18/20 | 0.59 |
| ▸ | PDE6C | P51160 | 4/20 | 0.59 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.59 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.59 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.59 |
| ▸ | PDE2A | O00408 | 2/20 | 0.59 |
| ▸ | PDE9A | O76083 | 2/20 | 0.59 |
| ▸ | PDE4A | P27815 | 2/20 | 0.59 |
| ▸ | PDE1A | P54750 | 2/20 | 0.59 |
| ▸ | PDE11A | Q9HCR9 | 2/20 | 0.59 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.59 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.59 |
| ▸ | PDE6D | O43924 | 1/20 | 0.59 |
| ▸ | PDE8A | O60658 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | PDE6A | P16499 | 1/20 | 0.59 |
| ▸ | PDE6G | P18545 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL21378257 | 0.99 | PDE5A (0.59) | PDE5APDE6CPDE3BPDE3AABCC4 | |
| SCHEMBL20561619 | 0.94 | PDE5A (0.61) | PDE5APDE6CPDE3BPDE3AABCC4 | |
| SCHEMBL28412134 | 0.88 | PDE5A (0.60) | PDE5APDE6CPDE3BPDE3AABCC4 | |
| SCHEMBL28409225 | 0.87 | PDE5A (0.61) | PDE5APDE6CPDE3BPDE3AABCC4 | |
| SCHEMBL28485561 | 0.84 | PDE5A (0.49) | PDE5APDE6CPDE3BPDE3AABCC4 | |
| SCHEMBL21401289 | 0.84 | PDE5A (0.49) | PDE5APDE6CPDE3BPDE3AABCC4 | |
| SCHEMBL28890961 | 0.84 | KMT2A (0.71) | PDE5APDE6CPDE3BPDE3AABCC4 | |
| SCHEMBL28417263 | 0.84 | PDE5A (0.58) | PDE5APDE6CPDE3BPDE3AABCC4 | |
| SCHEMBL28409118 | 0.84 | PDE5A (0.58) | PDE5APDE6CPDE3BPDE3AABCC4 | |
| SCHEMBL6716511 | 0.83 | PDE5A (0.84) | PDE5APDE6CPDE3BPDE3AABCC4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113995727-B | Type 5 phosphodiesterase inhibitor tablet and preparation method thereof | 山东鲁抗医药股份有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-113995727-A | Type 5 phosphodiesterase inhibitor tablet and preparation method thereof | 山东鲁抗医药股份有限公司 | 2022-02-01 | — | — | CN | disclosed |