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 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6897708 | 0.78 | CYP2D6 (0.47) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL18723515 | 0.71 | CYP2D6 (0.41) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL9577412 | 0.70 | IDO1 (0.41) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL8534443 | 0.70 | IDO1 (0.42) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL18962146 | 0.70 | CYP3A4 (0.46) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL2154643 | 0.70 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL28672152 | 0.68 | IDO1 (0.46) | CYP3A4IDO1NOS3NOS1NOS2 | |
| SCHEMBL3431056 | 0.68 | IDO1 (0.40) | CYP1A2CYP3A4CYP2D6IDO1NOS3 | |
| SCHEMBL11262637 | 0.68 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL24191173 | 0.67 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 |
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-113045550-A | Triazole derivative and preparation method and application thereof | 深圳济康医药科技有限公司 | 2021-06-29 | — | — | CN | disclosed |
| CN-112538069-A | Azole derivative or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 苏州艾和医药科技有限公司 | 2021-03-23 | — | — | CN | disclosed |