Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5359872 | 0.84 | CYP3A4 (0.38) | CYP3A4CYP2C19GAACYP1A2KMT2A | |
| SCHEMBL5360255 | 0.84 | CYP3A4 (0.38) | CYP3A4CYP2C19GAACYP1A2KMT2A | |
| SCHEMBL1234127 | 0.81 | AURKA (0.52) | GAACYP1A2KMT2AADORA3POLB | |
| SCHEMBL12050045 | 0.78 | CYP1A2 (0.45) | GAACYP1A2KMT2ANR1H2ADORA3 | |
| SCHEMBL10276571 | 0.77 | KMT2A (0.44) | GAACYP1A2KMT2AADORA3POLB | |
| SCHEMBL1233462 | 0.77 | CYP1A2 (0.44) | GAACYP1A2KMT2ANR1H2ADORA3 | |
| SCHEMBL1197227 | 0.77 | LMNA (0.58) | GAACYP1A2KMT2AADORA3POLB | |
| SCHEMBL13169989 | 0.77 | CYP1A2 (0.44) | GAACYP1A2KMT2ANR1H2ADORA3 | |
| SCHEMBL5363238 | 0.76 | SMN1; SMN2 (0.49) | GAACYP1A2KMT2APOLBAURKA | |
| SCHEMBL574088 | 0.76 | NPC1 (0.51) | GAACYP1A2KMT2AADORA3POLB |
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-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |