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 | |
|---|---|---|---|---|
| ▸ | GRIN1 known ✓ | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.34 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.34 |
| ▸ | GLP1R | P43220 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9865741 | 0.88 | HPGD (0.42) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| SCHEMBL11684204 | 0.78 | KDM4E (0.42) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| SCHEMBL8855508 | 0.72 | GRIN2D (0.47) | GLP1RALDH1A1KDM4ELMNAHTT | |
| SCHEMBL8183606 | 0.69 | HSD17B10 (0.44) | ALDH1A1KDM4EHTTARHPGD | |
| SCHEMBL7045388 | 0.69 | NPSR1 (0.44) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| SCHEMBL11861807 | 0.68 | PKM (0.36) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| SCHEMBL8873028 | 0.67 | GRIN2D (0.37) | ALDH1A1LMNAHTTHPGDHSD17B10 | |
| SCHEMBL31730671 | 0.66 | GRIN2D (0.39) | HTTHPGDHSD17B10CYP1A2GRIN1 | |
| SCHEMBL19612154 | 0.66 | SMN1; SMN2 (0.47) | ALDH1A1KDM4ELMNAHTTL3MBTL1 | |
| Pentachlorobenzene SCHEMBL28084945 | 0.65 | CYP3A4 (0.58) | ALDH1A1LMNAHTTARHPGD |
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-4031107-A | Method for introducing amino groups into benzimidazole or imidazopyridine compounds | ELI LILLY AND COMPANY (US) | 1977-06-21 | — | — | US | disclosed |