Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MPL | P40238 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | VRK1 | Q99986 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.31 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | GPR3 | P46089 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5511595 | 0.86 | GAA (0.50) | TSHRGLAPOLBGAAKIF11 | |
| SCHEMBL1137323 | 0.78 | THRB (0.46) | TSHRTHRBALDH1A1VRK1 | |
| SCHEMBL30568362 | 0.77 | TSHR (0.46) | TSHRGLAPOLBGAAKIF11 | |
| SCHEMBL28047962 | 0.77 | ERN1 (0.43) | KIF11 | |
| SCHEMBL10824723 | 0.77 | TSHR (0.42) | TSHRGLAPOLBGAAKIF11 | |
| SCHEMBL4846727 | 0.77 | THRB (0.60) | TSHRGLAPOLBGAATHRB | |
| Hydrochloric Acid SCHEMBL2876394 | 0.76 | THRB (0.43) | TSHRTHRBALDH1A1MAPTVRK1 | |
| SCHEMBL15543679 | 0.74 | GAA (0.43) | TSHRGLAPOLBGAAKIF11 | |
| SCHEMBL20600783 | 0.74 | KIF11 (0.37) | TSHRKIF11KDM1A | |
| SCHEMBL22133464 | 0.74 | THRB (0.42) | TSHRGAATHRBALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3638670-B1 | SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES AS MAP4K1 MODULATORS FOR THE TREATMENT OF CANCER DISEASES | Bayer Pharma AG (DE) | 2021-07-21 | — | — | EP | disclosed |
| EP-3638670-A1 | SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES AS MAP4K1 MODULATORS FOR THE TREATMENT OF CANCER DISEASES | Bayer Pharma Aktiengesellschaft (DE) | 2020-04-22 | — | — | EP | disclosed |
| WO-2018228923-A1 | SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES AS MAP4K1 MODULATORS FOR THE TREATMENT OF CANCER DISEASES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-12-20 | — | — | WO | disclosed |
| US-5068436-A | Hydrogenation of halonitrobenzenes without dehalogenation | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-11-26 | — | — | US | disclosed |