Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 6/20 | 0.41 |
| ▸ | RHOA | P61586 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LIG1 | P18858 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5303139 | 0.76 | CYP3A4 (0.50) | CYP3A4ALDH1A1TSHRHSD17B10PKM | |
| SCHEMBL5303145 | 0.76 | CYP3A4 (0.50) | CYP3A4ALDH1A1TSHRHSD17B10PKM | |
| SCHEMBL283224 | 0.76 | ALDH1A1 (0.51) | ALDH1A1TSHRHSD17B10SMN1; SMN2MEN1 | |
| SCHEMBL10587094 | 0.75 | CYP3A4 (0.49) | CYP3A4ALDH1A1TSHRHSD17B10PKM | |
| SCHEMBL6985266 | 0.74 | ALDH1A1 (0.55) | ALDH1A1TSHRSMN1; SMN2KMT2ALMNA | |
| SCHEMBL5690919 | 0.73 | LMNA (0.55) | CYP3A4ALDH1A1TSHRSMN1; SMN2MEN1 | |
| SCHEMBL282530 | 0.72 | MAPT (0.50) | ALDH1A1TSHRSMN1; SMN2MEN1KMT2A | |
| SCHEMBL1362962 | 0.72 | CYP3A4 (0.40) | CYP3A4ALDH1A1TSHRSMN1; SMN2MEN1 | |
| Benzene SCHEMBL28207781 | 0.72 | CYP3A4 (0.69) | CYP3A4ALDH1A1TSHRHSD17B10PKM | |
| Biphenyl SCHEMBL10931674 | 0.72 | CYP3A4 (0.58) | CYP3A4ALDH1A1TSHRHSD17B10PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0215739-B1 | SYNTHESIS OF BETA-LACTAM COMPOUNDS | CIBA-GEIGY AG (CH) | 1993-09-01 | — | — | EP | disclosed |
| EP-0215739-A1 | Synthesis of beta-lactam compounds | CIBA-GEIGY AG (CH) | 1987-03-25 | — | — | EP | disclosed |