Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20012750 | 1.00 | ALDH1A1 (0.44) | ALDH1A1PKMNPSR1HSD17B10KMT2A | |
| SCHEMBL22368490 | 1.00 | ALDH1A1 (0.44) | ALDH1A1PKMNPSR1HSD17B10KMT2A | |
| SCHEMBL21088072 | 1.00 | ALDH1A1 (0.44) | ALDH1A1PKMNPSR1HSD17B10KMT2A | |
| SCHEMBL9749200 | 0.80 | ALDH1A1 (0.48) | ALDH1A1PKMNPSR1KMT2AMEN1 | |
| SCHEMBL31432992 | 0.80 | ALDH1A1 (0.48) | ALDH1A1PKMNPSR1KMT2AMEN1 | |
| SCHEMBL18396791 | 0.80 | ALDH1A1 (0.48) | ALDH1A1PKMNPSR1KMT2AMEN1 | |
| SCHEMBL18397552 | 0.77 | MEN1 (0.46) | ALDH1A1PKMNPSR1KMT2AMEN1 | |
| SCHEMBL4798833 | 0.77 | CYP3A4 (0.53) | ALDH1A1PKMNPSR1HSD17B10KMT2A | |
| SCHEMBL9344776 | 0.76 | ALDH1A1 (0.45) | ALDH1A1PKMNPSR1HSD17B10KMT2A | |
| SCHEMBL20328794 | 0.76 | PKM (0.46) | ALDH1A1PKMNPSR1HSD17B10KMT2A |
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-3698796-B1 | PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS | NOVARTIS AG (CH) | 2021-10-27 | — | — | EP | disclosed |
| EP-3698796-A1 | PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS | Novartis AG (CH) | 2020-08-26 | — | — | EP | disclosed |