Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14416291 | 1.00 | KDM1A (0.46) | KDM1AMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL9310823 | 1.00 | KDM1A (0.46) | KDM1AMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL4632150 | 0.84 | ALDH1A1 (0.40) | KDM1AMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL9433556 | 0.84 | ALDH1A1 (0.40) | KDM1AMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL4632149 | 0.84 | ALDH1A1 (0.40) | KDM1AMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL9260964 | 0.77 | AKR1C3 (0.43) | MEN1KMT2AALDH1A1TSHRAKR1C3 | |
| SCHEMBL9260971 | 0.77 | AKR1C3 (0.43) | MEN1KMT2AALDH1A1TSHRAKR1C3 | |
| SCHEMBL6725291 | 0.77 | MAOB (0.40) | KDM1AALDH1A1TSHRAKR1C3CYP3A4 | |
| SCHEMBL30661126 | 0.77 | TDP1 (0.61) | MEN1KMT2AALDH1A1LMNATDP1 | |
| SCHEMBL7855199 | 0.76 | KDM1A (0.48) | KDM1AMEN1KMT2AALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611300-B1 | SUBSTITUTED ANNELATED DIHYDROPYRIMIDINONE COMPOUNDS | BAYER IP GMBH (DE) | 2016-04-06 | — | — | EP | disclosed |
| WO-2012028578-A1 | SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES | BAYER CROPSCIENCE AG (DE) | 2012-03-08 | — | — | WO | disclosed |
| US-7169786-B2 | Isoxazoline derivatives as anti-depressants | JANSSEN-CILAG S.A. (ES) | 2007-01-30 | — | — | US | disclosed |
| US-7169786-B2 | Isoxazoline derivatives as anti-depressants | JANSSEN-CILAG S.A. (ES) | 2007-01-30 | — | — | US | disclosed |