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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.80 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 11/20 | 0.53 |
| ▸ | CA2 | P00918 | 11/20 | 0.53 |
| ▸ | CA12 | O43570 | 7/20 | 0.53 |
| ▸ | CA9 | Q16790 | 7/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL8358125 | 0.95 | TDP1 (0.90) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL321315 | 0.93 | TDP1 (0.85) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL27860437 | 0.91 | TDP1 (0.82) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL28210550 | 0.91 | TDP1 (0.70) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL360927 | 0.91 | TDP1 (0.96) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL7908254 | 0.89 | TDP1 (1.00) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL5193445 | 0.89 | TDP1 (1.00) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL3422180 | 0.89 | TDP1 (1.00) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL2819924 | 0.89 | TDP1 (1.00) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL22777078 | 0.89 | TDP1 (1.00) | TDP1MEN1GAAKMT2AMAOA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5373095-A | Steroid compounds | THE UPJOHN COMPANY (US) | 1994-12-13 | — | — | US | disclosed |
| US-5334712-A | Estrane or androstane pyridinyl alkyl or alkylphenyl amine steroids for antidiabetes and obesity | THE UPJOHN COMPANY (US) | 1994-08-02 | — | — | US | disclosed |
| US-5274089-A | A estra-1,3,5(10)-triene derivative | THE UPJOHN COMPANY (US) | 1993-12-28 | — | — | US | disclosed |
| US-5196542-A | Phospholipase A2 inhibitors | THE UPJOHN COMPANY (US) | 1993-03-23 | — | — | US | disclosed |
| US-5187299-A | Phospholipase inhibitors; treating diabetes, obesity | THE UPJOHN COMPANY (US) | 1993-02-16 | — | — | US | disclosed |
| US-5145874-A | Phospholipase inhibitor, hypoglycemic agent, antidiabetic, obesity | THE UPJOHN COMPANY (US) | 1992-09-08 | — | — | US | disclosed |
| US-4917826-A | TREATING DIABETES AND OBESITY | THE UPJOHN COMPANY (US) | 1990-04-17 | — | — | US | disclosed |