Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5195267 | 0.86 | ALDH1A1 (0.41) | KDM4EALDH1A1CA1CA2KMT2A | |
| SCHEMBL5195658 | 0.84 | ALDH1A1 (0.44) | KDM4EALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL5195794 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL5190948 | 0.82 | TSHR (0.43) | KDM4EALDH1A1 | |
| SCHEMBL5208487 | 0.77 | NOS2 (0.39) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL5193856 | 0.76 | KDM4E (0.55) | KDM4EALDH1A1IDO1CA1CA2 | |
| SCHEMBL5190321 | 0.74 | NOS2 (0.52) | — | |
| SCHEMBL5194022 | 0.71 | ALDH1A1 (0.46) | KDM4EALDH1A1MAPT | |
| SCHEMBL5193468 | 0.71 | ALDH1A1 (0.52) | KDM4EALDH1A1CA1CA2MAPT | |
| SCHEMBL5190775 | 0.70 | MAPT (0.49) | ALDH1A1MAPTCCR3KMT2AMEN1 |
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-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | claimed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | claimed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | claimed |