Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL14691214 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MCOLN3PKMRAB9ALMNA | |
| SCHEMBL20879153 | 0.80 | MAPT (0.40) | ALDH1A1RAB9AMEN1KMT2AGAA | |
| SCHEMBL20879157 | 0.76 | SMN1; SMN2 (0.36) | ALDH1A1RAB9ALMNAMAPTKDM4E | |
| SCHEMBL20879248 | 0.74 | MEP1B (0.34) | ALDH1A1RAB9AGAAMAPTKDM4E | |
| SCHEMBL1027697 | 0.68 | MEN1 (0.46) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL8313561 | 0.66 | ALDH1A1 (0.47) | ALDH1A1MCOLN3PKMLMNAMAPT | |
| SCHEMBL29465883 | 0.64 | ALDH1A1 (0.41) | ALDH1A1RAB9ALMNAMAPTKDM4E | |
| SCHEMBL21185109 | 0.63 | CRHR1 (0.50) | LMNAMEN1KMT2AGAACRHR1 | |
| SCHEMBL28300026 | 0.63 | MEN1 (0.44) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL13136741 | 0.62 | ALDH1A1 (0.49) | ALDH1A1RAB9ALMNAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3070087-B1 | INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-04-10 | — | — | EP | disclosed |