Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14218347 | 1.00 | SMN1; SMN2 (0.48) | SMN1; SMN2PKMHTTSIGMAR1MAPK1 | |
| SCHEMBL3618274 | 0.86 | MAPK1 (0.47) | SMN1; SMN2SIGMAR1MAPK1MEN1KMT2A | |
| SCHEMBL3618418 | 0.86 | MAPK1 (0.47) | SMN1; SMN2SIGMAR1MAPK1MEN1KMT2A | |
| SCHEMBL10265005 | 0.81 | CTSK (0.49) | MEN1KMT2AALDH1A1CASP3TSHR | |
| SCHEMBL13547191 | 0.79 | SMN1; SMN2 (0.50) | SMN1; SMN2MAPK1TSHR | |
| SCHEMBL13547190 | 0.79 | SMN1; SMN2 (0.50) | SMN1; SMN2MAPK1TSHR | |
| SCHEMBL6199732 | 0.76 | CASP3 (0.60) | ALDH1A1CASP3 | |
| SCHEMBL17557005 | 0.76 | CA1 (0.47) | SMN1; SMN2PKMHTTCA1CA2 | |
| SCHEMBL17556856 | 0.76 | CA1 (0.47) | SMN1; SMN2PKMHTTCA1CA2 | |
| SCHEMBL16059873 | 0.76 | CA1 (0.47) | SMN1; SMN2PKMHTTCA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008039420-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-04-03 | — | — | WO | disclosed |