Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ITK | Q08881 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20540301 | 0.72 | MAPT (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8997249 | 0.69 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8997267 | 0.68 | CYP3A4 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8997211 | 0.67 | MAPT (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6326170 | 0.65 | POLB (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6174901 | 0.63 | POLB (0.41) | CYP1A2CYP2C19ALDH1A1L3MBTL1HTT | |
| SCHEMBL27706292 | 0.62 | CES2 (0.46) | CYP3A4CYP2C19ALDH1A1NPC1L3MBTL1 | |
| SCHEMBL28601701 | 0.61 | MEN1 (0.49) | ALDH1A1NPC1HTTKMT2AMEN1 | |
| SCHEMBL11090784 | 0.60 | LMNA (0.42) | ALDH1A1L3MBTL1KMT2AMEN1KDM4E | |
| SCHEMBL4520111 | 0.60 | — | — |
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-5486618-A | PLANT SAFENING AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1996-01-23 | — | — | US | disclosed |
| EP-0561836-A1 | SUBSTITUTED 5-AMINOPYRAZOLS | BASF Aktiengesellschaft (DE) | 1993-09-29 | — | — | EP | disclosed |
| WO-1992010480-A1 | SUBSTITUTED 5-AMINOPYRAZOLS | BASF AKTIENGESELLSCHAFT (DE) | 1992-06-25 | — | — | WO | disclosed |