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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.47 |
| ▸ | FLT3 | P36888 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL7873932 | 0.94 | HRH4 (0.51) | HRH4FLT3IDO1HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL7881429 | 0.93 | HRH4 (0.50) | HRH4FLT3IDO1HDAC3HDAC1 | |
| SCHEMBL7881419 | 0.86 | HDAC3 (0.40) | HRH4FLT3IDO1HDAC3HDAC1 | |
| SCHEMBL7873281 | 0.81 | KDM4E (0.44) | IDO1GLAGAATP53SLC9A1 | |
| SCHEMBL7877778 | 0.81 | KDM4E (0.44) | IDO1GLAGAATP53SLC9A1 | |
| SCHEMBL7878082 | 0.81 | BRD4 (0.39) | HRH4FLT3TP53MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL7873939 | 0.81 | TP53 (0.38) | HRH4FLT3IDO1MTNR1AMTNR1B | |
| SCHEMBL7879622 | 0.81 | HRH4 (0.38) | HRH4FLT3IDO1TP53KDM4E | |
| Hydrochloric Acid SCHEMBL7882224 | 0.80 | KDM4E (0.44) | HRH4FLT3IDO1GLADRD2 | |
| SCHEMBL7873374 | 0.80 | HDAC3 (0.39) | HRH4FLT3IDO1HDAC3HDAC1 |
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 |