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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.43 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 2/20 | 0.43 |
| ▸ | ITK | Q08881 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CSF1R | P07333 | 2/20 | 0.40 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.38 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7827513 | 0.99 | EGFR (0.43) | EGFRBTKITKMEN1KMT2A | |
| Sulfuric Acid SCHEMBL7827766 | 0.97 | MEN1 (0.42) | EGFRBTKITKMEN1KMT2A | |
| SCHEMBL6796219 | 0.95 | EGFR (0.44) | EGFRBTKITKMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6794144 | 0.95 | EGFR (0.43) | EGFRBTKITKMEN1KMT2A | |
| SCHEMBL6796375 | 0.88 | EGFR (0.46) | EGFRBTKITKCSF1RHSD17B13 | |
| SCHEMBL6795507 | 0.88 | RXFP1 (0.43) | EGFRBTKITKMEN1KMT2A | |
| SCHEMBL6799786 | 0.87 | EGFR (0.49) | EGFRBTKITKKMT2ANPC1 | |
| SCHEMBL6797010 | 0.86 | CSF1R (0.47) | EGFRBTKITKMEN1KMT2A | |
| SCHEMBL6948403 | 0.86 | EGFR (0.48) | EGFRBTKITKHSD17B13RXFP1 | |
| SCHEMBL6954213 | 0.86 | EGFR (0.44) | EGFRBTKITKMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1118615-A1 | NOVEL SALTS OF PYRIDOPYRAZINE COMPOUND AND CRYSTALS THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-07-25 | — | — | EP | disclosed |