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 | 0.44 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7390105 | 0.92 | ALOX5 (0.46) | SHMT2MAOBMTNR1AMAPTMEN1 | |
| SCHEMBL7387597 | 0.86 | CCR5 (0.42) | MAPTMEN1HTTKMT2ACA12 | |
| SCHEMBL7387503 | 0.86 | ALOX5 (0.39) | MAOBCA12CA9CA2ALOX5 | |
| SCHEMBL7702421 | 0.85 | NPC1 (0.37) | CA12CA9CA2CA1NPC1 | |
| SCHEMBL7376234 | 0.85 | MAPT (0.46) | MAOBMAPTMEN1HSP90AA1GAA | |
| SCHEMBL7383040 | 0.85 | CCR5 (0.35) | SHMT2MAPTMEN1HTTKMT2A | |
| SCHEMBL7701270 | 0.83 | ALDH1A1 (0.35) | MAPTCA12CA9CA2TP53 | |
| SCHEMBL7386129 | 0.82 | ALOX5 (0.40) | MAOBMAPTMEN1GAAKMT2A | |
| Hydrochloric Acid SCHEMBL7700179 | 0.79 | NPC1 (0.43) | MAOBMAPTALDH1A1NPC1NFKB1 | |
| SCHEMBL7382970 | 0.79 | CA12 (0.40) | MAOBMAPTMEN1HTTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998055475-A1 | GUANIDINE DERIVIATIVES AS INHIBITORS OF NA+/H+ EXCHANGE IN CELLS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-12-10 | — | — | WO | disclosed |