Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3537227 | 0.81 | TSHR (0.54) | CYP3A4KMT2AALDH1A1PKMNPSR1 | |
| SCHEMBL3121452 | 0.78 | KMT2A (0.55) | CYP3A4MAPK1KMT2AATMMAPT | |
| SCHEMBL19036565 | 0.78 | CYP3A4 (0.42) | CYP3A4MAPK1KMT2AATMMAPT | |
| SCHEMBL6887399 | 0.75 | CYP3A4 (0.48) | CYP3A4MAPK1MAPTALDH1A1HPGD | |
| SCHEMBL11856646 | 0.75 | CYP3A4 (0.39) | CYP3A4MAPK1MAPTALDH1A1GLA | |
| SCHEMBL326582 | 0.74 | CYP3A4 (0.48) | CYP3A4MAPK1KMT2AATMALDH1A1 | |
| SCHEMBL12323042 | 0.73 | CYP3A4 (0.38) | CYP3A4MAPK1KMT2AATMNPSR1 | |
| SCHEMBL16958284 | 0.72 | CYP3A4 (0.46) | CYP3A4MAPK1KMT2AMAPTALDH1A1 | |
| SCHEMBL5495856 | 0.72 | KMT2A (0.40) | CYP3A4MAPK1KMT2AATMMAPT | |
| SCHEMBL2026918 | 0.71 | TSHR (0.54) | CYP3A4MAPK1KMT2AMAPTALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |