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 | |
|---|---|---|---|---|
| ▸ | TUBB4A known ✓ | P04350 | 1/20 | 0.36 |
| ▸ | TUBB known ✓ | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C known ✓ | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B known ✓ | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A known ✓ | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B known ✓ | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 known ✓ | Q13509 | 1/20 | 0.36 |
| ▸ | TUBB2A known ✓ | Q13885 | 1/20 | 0.36 |
| ▸ | TUBB8 known ✓ | Q3ZCM7 | 1/20 | 0.36 |
| ▸ | TUBA3E known ✓ | Q6PEY2 | 1/20 | 0.36 |
| ▸ | TUBA1A known ✓ | Q71U36 | 1/20 | 0.36 |
| ▸ | TUBA1C known ✓ | Q9BQE3 | 1/20 | 0.36 |
| ▸ | TUBB6 known ✓ | Q9BUF5 | 1/20 | 0.36 |
| ▸ | TUBB2B known ✓ | Q9BVA1 | 1/20 | 0.36 |
| ▸ | TUBB1 known ✓ | Q9H4B7 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10365500 | 0.98 | CYP4A11 (0.41) | CYP4A11CYP4F2NR3C1NR3C2LMNA | |
| SCHEMBL9689627 | 0.89 | TNKS2 (0.47) | CYP4A11CYP4F2NR3C1NR3C2LMNA | |
| SCHEMBL9689485 | 0.84 | TNKS2 (0.53) | CYP4A11CYP4F2NR3C1NR3C2HTR2B | |
| SCHEMBL9689090 | 0.79 | ALDH1A1 (0.46) | NR3C1NR3C2LMNACA2ALDH1A1 | |
| SCHEMBL7933672 | 0.77 | TNKS2 (0.41) | CYP4A11CYP4F2CYP3A4MAPTMAPK1 | |
| SCHEMBL4166761 | 0.76 | ALDH1A1 (0.42) | CYP4A11CYP4F2NR3C1NR3C2MAPT | |
| SCHEMBL20376310 | 0.74 | TNKS2 (0.60) | HTR2BTNKS2ALDH1A1TUBB4ATUBB | |
| SCHEMBL6123748 | 0.74 | TNKS2 (0.44) | CYP4A11CYP4F2CYP3A4TDP1TNKS2 | |
| SCHEMBL4740186 | 0.74 | TUBB4A (0.61) | CYP3A4MAPTHTR2BCA2TNKS2 | |
| SCHEMBL6567714 | 0.74 | TNKS2 (0.41) | CYP4A11CYP4F2CYP3A4TNKS2ALOX5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5120843-A | Nervous system disorders | UPJOHN (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0487510-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1992-05-27 | — | — | EP | disclosed |
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| EP-0293078-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1988-11-30 | — | — | EP | disclosed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |