Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18172659 | 0.78 | GABRA5 (0.40) | TSHREPHX1ALOX15 | |
| SCHEMBL18173278 | 0.77 | TSHR (0.34) | TSHREPHX1ALOX15 | |
| Dimethyl Succinate SCHEMBL27941260 | 0.74 | TSHR (0.72) | TSHRALDH1A1LMNAKMT2AMAPT | |
| SCHEMBL380886 | 0.73 | TSHR (0.44) | TSHRGNAI3GNAO1GNAI1ALOX15 | |
| SCHEMBL27261055 | 0.72 | TSHR (0.39) | TSHRALDH1A1LMNAEPHX2KDM4E | |
| SCHEMBL1515181 | 0.72 | SLC6A4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL382045 | 0.71 | GNAI3 (0.43) | TSHRLMNAKMT2AGNAI3GNAO1 | |
| Hydrochloric Acid SCHEMBL27418446 | 0.71 | GNAI3 (0.43) | TSHRLMNAKMT2AGNAI3GNAO1 | |
| SCHEMBL2091402 | 0.71 | GNAO1 (0.35) | GNAI3GNAO1GNAI1EPHX1 | |
| SCHEMBL4124535 | 0.70 | TSHR (0.41) | TSHRALDH1A1LMNAKMT2AMAPT |
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-1565475-A1 | DIAZINOPYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004046152-A1 | DIAZINOPYRIMIDINES | F. HOFFMANN LA ROCHE AG (CH) | 2004-06-03 | — | — | WO | disclosed |
| EP-1228070-A1 | HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001029042-A1 | HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |