Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5999840 | 0.87 | KMT2A (0.56) | KMT2AKDM4EALDH1A1GLAGAA | |
| SCHEMBL1832111 | 0.86 | C5AR1 (0.53) | CYP2C19CYP3A4DPP4KMT2AKDM4E | |
| SCHEMBL20042893 | 0.85 | CYP2C19 (0.45) | CYP2C19CYP3A4DPP4KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL4321708 | 0.85 | C5AR1 (0.52) | CYP2C19CYP3A4DPP4KMT2AKDM4E | |
| SCHEMBL20042772 | 0.82 | CYP2C19 (0.43) | CYP2C19CYP3A4DPP4KMT2AGAA | |
| SCHEMBL2532723 | 0.77 | SIGMAR1 (0.43) | CYP2C19CYP3A4DPP4KMT2AKDM4E | |
| SCHEMBL183618 | 0.76 | P2RX7 (0.53) | KMT2AKDM4EALDH1A1GLAGAA | |
| SCHEMBL16260721 | 0.75 | KMT2A (0.59) | KMT2AKDM4EALDH1A1GLAGAA | |
| Hydrochloric Acid SCHEMBL6298078 | 0.75 | P2RX7 (0.52) | KMT2AKDM4EALDH1A1GLAGAA | |
| SCHEMBL30568385 | 0.74 | CYP3A4 (0.43) | CYP2C19CYP3A4DPP4KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |
| WO-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |