Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15066961 | 0.88 | ALDH1A1 (0.41) | CYP1A2CYP2A6CA4ACHEALDH1A1 | |
| SCHEMBL7033071 | 0.81 | CA4 (0.43) | CYP1A2CYP2A6CA4ALDH1A1KDM4E | |
| SCHEMBL533385 | 0.78 | DYRK1A (0.47) | CYP1A2CYP2A6ACHEALDH1A1NPC1 | |
| SCHEMBL10918406 | 0.78 | CYP11B1 (0.44) | CYP1A2CYP2A6CA4ALDH1A1KDM4E | |
| SCHEMBL28827396 | 0.77 | CYP1A1 (0.48) | CYP1A2CYP2A6CA4ALDH1A1KDM4E | |
| SCHEMBL8125196 | 0.77 | CYP1A2 (0.40) | CYP1A2CYP2A6CA4ACHEALDH1A1 | |
| SCHEMBL8528792 | 0.77 | ALDH1A1 (0.44) | CYP1A2CYP2A6CA4ALDH1A1KDM4E | |
| SCHEMBL323109 | 0.76 | DYRK1A (0.49) | CYP1A2CYP2A6ACHEALDH1A1KDM4E | |
| SCHEMBL5670544 | 0.75 | MEN1 (0.40) | CYP1A2CYP2A6ALDH1A1MEN1KMT2A | |
| SCHEMBL1293107 | 0.75 | PTPN1 (0.47) | CYP1A2CYP2A6ALDH1A1MEN1KMT2A |
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-6265620-B1 | REACTING OLEFINIC COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN PRESENCE OF CATALYST CONTAINING METAL OF GROUP 8 TO 10 AND TRIVALENT ORANIC PHOSPHORUS COMPOUND TO PRODUCE ALDEHYDE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-07-24 | — | — | US | disclosed |