Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | CCR6 | P51684 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11460541 | 0.81 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2DPP4MAPTPOLB | |
| SCHEMBL11460540 | 0.81 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2DPP4MAPTPOLB | |
| SCHEMBL6436482 | 0.79 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2DPP4MAPTPOLB | |
| SCHEMBL6436484 | 0.79 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2DPP4MAPTPOLB | |
| SCHEMBL49389 | 0.79 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2DPP4MAPTPOLB | |
| SCHEMBL11668096 | 0.77 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2DPP4MAPTPOLB | |
| SCHEMBL30613327 | 0.76 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2DPP4MAPTPOLB | |
| SCHEMBL1464214 | 0.75 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2DPP4MAPTPOLB | |
| SCHEMBL11500552 | 0.75 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2DPP4MAPTPOLB | |
| SCHEMBL11500553 | 0.75 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2DPP4MAPTPOLB |
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 3 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-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 |