Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 6/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | CRHBP | P24387 | 1/20 | 0.59 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11176623 | 0.85 | MAPT (0.65) | HTTMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11175667 | 0.84 | MAPT (0.61) | HTTMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6696002 | 0.82 | MAPT (0.64) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8593142 | 0.82 | MAPT (0.49) | HTTMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29038583 | 0.81 | HTT (0.62) | HTTMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16299041 | 0.81 | MAPT (0.57) | HTTMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2991374 | 0.81 | HTT (0.58) | HTTMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14039022 | 0.79 | MAPT (0.56) | HTTMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6696272 | 0.79 | FFAR1 (0.49) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3440796 | 0.79 | ADRA2C (0.72) | HTTMAPTCYP1A2CYP3A4CYP2D6 |
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-5723670-A | REACTION OF AROMATIC AMINE WITH HALIDE AND SULFONATE DERIVATIVE | BAYER CORPORATION (US) | 1998-03-03 | — | — | US | disclosed |