Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.33 |
| ▸ | RHEB | Q15382 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.32 |
| ▸ | RXRA | P19793 | 2/20 | 0.32 |
| ▸ | RXRB | P28702 | 2/20 | 0.32 |
| ▸ | RXRG | P48443 | 2/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7879937 | 0.90 | FFAR4 (0.36) | SLC9A1FFAR4FFAR1 | |
| SCHEMBL7884292 | 0.90 | BRD4 (0.35) | SLC9A1 | |
| SCHEMBL7877445 | 0.88 | RXRA (0.36) | RHEBSLC9A1MAOBFFAR4FFAR1 | |
| SCHEMBL7880889 | 0.85 | SLC9A1 (0.35) | SLC9A1FFAR4FFAR1MEN1KMT2A | |
| SCHEMBL7879639 | 0.85 | BRD4 (0.38) | KMT2ASMPD1IDO1 | |
| SCHEMBL7873287 | 0.83 | KDM4E (0.45) | SLC9A1MEN1KMT2AIDO1TDO2 | |
| SCHEMBL7873911 | 0.83 | SYK (0.39) | SLC9A1 | |
| SCHEMBL7879909 | 0.81 | CYP19A1 (0.35) | RHEBCA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL7881285 | 0.81 | BRD4 (0.35) | RHEBMEN1KMT2AHDAC1HDAC8 | |
| SCHEMBL7877812 | 0.81 | SLC9A1 (0.36) | SLC9A1IDO1TDO2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6248772-B1 | HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS | SUMITOMO PHARMACEUTICALS CO., LTD. (JP) | 2001-06-19 | — | — | US | disclosed |
| US-6169107-B1 | USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS | SUMITOMO PHARMACEUTICAL CO., LTD. (JP) | 2001-01-02 | — | — | US | disclosed |
| EP-0708091-A2 | Indoloylguanidine derivatives | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1996-04-24 | — | — | EP | disclosed |