Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | TYK2 | P29597 | 1/20 | 0.43 |
| ▸ | CLPP | Q16740 | 2/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | FLT1 | P17948 | 2/20 | 0.41 |
| ▸ | FLT4 | P35916 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28081598 | 0.87 | MEN1 (0.48) | ABL1TYK2MAPTCYP1A2CYP2C19 | |
| SCHEMBL1180038 | 0.83 | TYK2 (0.57) | ABL1JAK2TYK2PDK2CA12 | |
| SCHEMBL30819021 | 0.82 | CA12 (0.64) | PDK2CA12CA1CA2CA7 | |
| SCHEMBL20987087 | 0.82 | KDM4E (0.44) | ABL1PDK2CA12CA1CA2 | |
| SCHEMBL28006591 | 0.82 | CA12 (0.64) | PDK2CA12CA1CA2CA7 | |
| SCHEMBL27853433 | 0.81 | CPS1 (0.44) | ABL1PDK2CA12CA1CA2 | |
| SCHEMBL21434767 | 0.81 | PDK2 (0.47) | ABL1JAK2TYK2PDK2CA12 | |
| SCHEMBL516293 | 0.79 | ABL1 (0.46) | ABL1JAK2TYK2PDK2CA12 | |
| SCHEMBL1014886 | 0.79 | ALDH1A1 (0.53) | ABL1JAK2TYK2PDK2CA12 | |
| SCHEMBL21447016 | 0.77 | TDP1 (0.51) | ABL1MAPTRAB9AKDM4EALDH1A1 |
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-102711470-A | Novel tricyclic compounds | ABBOTT LAB | 2012-10-03 | — | — | CN | disclosed |
| CN-102356068-A | 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN LA ROCHE | 2012-02-15 | — | — | CN | disclosed |