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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.34 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10975287 | 1.00 | CA2 (0.44) | CA2MTNR1APOLBLMNACA1 | |
| SCHEMBL10980338 | 0.85 | CA2 (0.36) | CA2POLB | |
| SCHEMBL10977242 | 0.85 | CA2 (0.36) | CA2POLB | |
| SCHEMBL9316602 | 0.76 | CA2 (0.58) | CA2MTNR1APOLBLMNASMN1; SMN2 | |
| SCHEMBL11289573 | 0.76 | LTA4H (0.32) | CA2POLBLMNAMAPTSMN1; SMN2 | |
| SCHEMBL4333283 | 0.72 | CA2 (0.45) | CA2MTNR1APOLBSMN1; SMN2HPGD | |
| SCHEMBL10975676 | 0.72 | CA2 (0.51) | CA2POLBLMNACA1SMN1; SMN2 | |
| SCHEMBL10975283 | 0.72 | CA2 (0.51) | CA2POLBLMNACA1SMN1; SMN2 | |
| SCHEMBL4823736 | 0.71 | CA2 (0.60) | CA2 | |
| SCHEMBL4823732 | 0.71 | CA2 (0.60) | CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4496579-A | AMINATION WITH AMMONIA OR PRIMARY AMINE; ANTIDEPRESANT | GLAXO GROUP LIMITED (GB) | 1985-01-29 | — | — | US | disclosed |