Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4427688 | 0.88 | TDP1 (0.65) | TDP1MEN1KMT2ATAAR1CYP2D6 | |
| SCHEMBL5357670 | 0.83 | MEN1 (0.40) | MEN1KMT2ACYP2D6NOS3NOS1 | |
| SCHEMBL7599627 | 0.82 | TDP1 (0.58) | TDP1MEN1KMT2ATAAR1CYP2D6 | |
| SCHEMBL27551288 | 0.81 | TRPA1 (0.48) | TDP1MEN1KMT2ATAAR1CYP1A1 | |
| SCHEMBL28204549 | 0.81 | TDP1 (0.56) | TDP1MEN1KMT2ATAAR1CYP2D6 | |
| SCHEMBL6756868 | 0.78 | TDP1 (0.48) | TDP1MEN1KMT2ATAAR1CYP2D6 | |
| SCHEMBL6656495 | 0.77 | TDP1 (0.52) | TDP1MEN1KMT2ATAAR1CYP1A2 | |
| SCHEMBL31573996 | 0.77 | TDP1 (0.52) | TDP1MEN1KMT2ATAAR1CYP1A2 | |
| SCHEMBL6268243 | 0.77 | CNR1 (0.42) | MEN1KMT2ATAAR1CHRM2CHRM1 | |
| SCHEMBL3127217 | 0.77 | TDP1 (0.52) | TDP1MEN1KMT2ATAAR1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1420882-A | Substd. oxoazaheterocyclyl compounds | AVENTIS PHARM PROD INC (US) | 2003-05-28 | — | — | CN | disclosed |