Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL81393 | 0.82 | CYP2C9 (0.55) | CYP2C19DAOCES2CES1KEAP1 | |
| SCHEMBL332184 | 0.79 | CES2 (0.50) | CYP2C19DAOCES2CES1KEAP1 | |
| SCHEMBL332185 | 0.79 | CES2 (0.50) | CYP2C19DAOCES2CES1KEAP1 | |
| SCHEMBL5179085 | 0.77 | TSHR (0.53) | CYP2C19DAOCES2CES1KEAP1 | |
| SCHEMBL30944840 | 0.76 | DAO (0.44) | DAOCES2CES1KEAP1KMT2A | |
| SCHEMBL9705401 | 0.75 | RAB9A (0.54) | CYP2C19DAOKMT2AALDH1A1NPC1 | |
| SCHEMBL11386076 | 0.75 | RAB9A (0.54) | CYP2C19DAOKMT2AALDH1A1NPC1 | |
| SCHEMBL9705400 | 0.75 | RAB9A (0.54) | CYP2C19DAOKMT2AALDH1A1NPC1 | |
| SCHEMBL3494961 | 0.74 | HPGD (0.46) | CYP2C19DAOCES2CES1KEAP1 | |
| SCHEMBL3839189 | 0.74 | DAO (0.55) | CYP2C19DAOCES2CES1KEAP1 |
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-4363920-A | Process for the preparation of N-[2-(-thenoyl)thiopropionyl]-glycine | B.T.B. INDUSTRIA CHIMICA S.P.A. (IT) | 1982-12-14 | — | — | US | disclosed |