Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | JUN | P05412 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8199623 | 0.81 | CYP11B2 (0.44) | CYP11B2ALDH1A1CYP11B1MAPTRAB9A | |
| SCHEMBL11782007 | 0.80 | CHRNB2 (0.60) | CYP11B2ALDH1A1CYP11B1MAPTRAB9A | |
| SCHEMBL289623 | 0.78 | — | — | |
| SCHEMBL20995 | 0.78 | — | — | |
| SCHEMBL29522900 | 0.78 | — | — | |
| SCHEMBL1515423 | 0.77 | — | — | |
| SCHEMBL27775563 | 0.77 | — | — | |
| SCHEMBL1937380 | 0.77 | — | — | |
| SCHEMBL27938439 | 0.77 | — | — | |
| Iodide SCHEMBL11295890 | 0.76 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5859190-A | SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES | TREGA BIOSCIENCES, INC. (US) | 1999-01-12 | — | — | US | claimed |
| WO-1998033776-A1 | COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| US-5550233-A | AUTOIMMUNE DISEASES; PREVENTION OF TRANSPLANT REJECTION | MERCK & CO., INC. (US) | 1996-08-27 | — | — | US | claimed |
| US-5252732-A | D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity | MERCK & CO., INC. (US) | 1993-10-12 | — | — | US | claimed |
| US-5859190-A | SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES | TREGA BIOSCIENCES, INC. (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1998033776-A1 | COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| US-5550233-A | AUTOIMMUNE DISEASES; PREVENTION OF TRANSPLANT REJECTION | MERCK & CO., INC. (US) | 1996-08-27 | — | — | US | disclosed |
| US-5349061-A | O-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity | MERCK & CO., INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5252732-A | D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity | MERCK & CO., INC. (US) | 1993-10-12 | — | — | US | disclosed |