Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.43 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.42 |
| ▸ | MPL | P40238 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7543033 | 0.89 | CYP2D6 (0.51) | CYP2D6DAPK1PADI4MPLCYP1A2 | |
| SCHEMBL15522435 | 0.89 | CYP2D6 (0.47) | CYP2D6DAPK1PADI4MPLCYP1A2 | |
| SCHEMBL28517657 | 0.87 | CYP2D6 (0.50) | CYP2D6DAPK1PADI4MPLCYP1A2 | |
| SCHEMBL358739 | 0.87 | CYP2D6 (0.46) | CYP2D6DAPK1PADI4MPLCYP1A2 | |
| SCHEMBL898309 | 0.83 | CYP2D6 (0.46) | CYP2D6DAPK1PADI4MPLCYP1A2 | |
| SCHEMBL30852244 | 0.82 | DAPK1 (0.47) | CYP2D6DAPK1PADI4MPLCYP1A2 | |
| SCHEMBL8025326 | 0.82 | DAPK1 (0.56) | CYP2D6DAPK1PADI4MPLCYP1A2 | |
| SCHEMBL14879315 | 0.81 | TSHR (0.50) | CYP2D6DAPK1PADI4MPLCYP1A2 | |
| SCHEMBL28996760 | 0.79 | DAPK1 (0.49) | CYP2D6DAPK1PADI4MPLCYP1A2 | |
| SCHEMBL13152682 | 0.79 | CYP2D6 (0.44) | CYP2D6DAPK1PADI4MPLCYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106187835-A | 2,3 dihydroxy naphthlene 1,6 disulfonic acid chemical intermediate synthetic methods | 江苏扬农化工集团有限公司 | 2016-12-07 | — | — | CN | disclosed |
| US-5203876-A | Disazo dye for dyeing in blue shades | CIBA-GEIGY CORPORATION (US) | 1993-04-20 | — | — | US | disclosed |