Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.38 |
| ▸ | PKLR | P30613 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | LGMN | Q99538 | 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 | |
|---|---|---|---|---|
| SCHEMBL12818531 | 0.87 | PKM (0.45) | PKMPKLRCYP2C9PDE3BPDE3A | |
| SCHEMBL12818609 | 0.86 | PKM (0.38) | PKMPKLRCYP2C9KDM2BPDE3B | |
| SCHEMBL12818456 | 0.86 | KDM2B (0.37) | PKMPKLRCYP2C9KDM2BPDE3B | |
| SCHEMBL12817792 | 0.85 | KMT2A (0.44) | PKMPKLRCYP2C9PDE3BPDE3A | |
| SCHEMBL12818115 | 0.85 | NPC1 (0.42) | PKMPKLRCYP2C9NPC1MEN1 | |
| SCHEMBL1818909 | 0.84 | PKM (0.48) | PKMPKLRCYP2C9LMNANPC1 | |
| SCHEMBL1818674 | 0.84 | CYP2C9 (0.53) | PKMPKLRCYP2C9PDE3BPDE3A | |
| SCHEMBL12818475 | 0.83 | PKM (0.38) | PKMPKLRKDM2BTHRBLMNA | |
| SCHEMBL12818264 | 0.83 | PDE3B (0.39) | PKMPKLRCYP2C9KDM2BPDE3B | |
| SCHEMBL12818685 | 0.83 | PKM (0.38) | PKMPKLRCYP2C9KDM2BPDE3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012130306-A1 | BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY | ELARA PHARMACEUTICALS GMBH (DE) | 2012-10-04 | — | — | WO | claimed |
| WO-2012130306-A1 | BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY | ELARA PHARMACEUTICALS GMBH (DE) | 2012-10-04 | — | — | WO | disclosed |