Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | PTAFR | P25105 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1159572 | 0.89 | MTNR1A (0.43) | KDM4ENPC1RAB9AMAPTPKM | |
| SCHEMBL10670409 | 0.76 | KDM4E (0.39) | L3MBTL1SRD5A1SRD5A2KDM4ENPC1 | |
| SCHEMBL28633869 | 0.76 | MAPT (0.50) | KDM4ENPC1RAB9AMAPTPKM | |
| SCHEMBL1159362 | 0.73 | KDM4E (0.41) | L3MBTL1KDM4ENPC1RAB9AMAPT | |
| SCHEMBL2780444 | 0.73 | PDE10A (0.40) | SRD5A1SRD5A2KDM4ENPC1RAB9A | |
| SCHEMBL30712298 | 0.73 | NPC1 (0.44) | KDM4ENPC1RAB9AMAPTPKM | |
| SCHEMBL29376705 | 0.71 | KDM4E (0.56) | L3MBTL1SRD5A1SRD5A2KDM4ENPC1 | |
| SCHEMBL16973636 | 0.71 | KDM4E (0.56) | L3MBTL1SRD5A1SRD5A2KDM4ENPC1 | |
| SCHEMBL9334779 | 0.69 | TSHR (0.40) | L3MBTL1SRD5A1SRD5A2KDM4ENPC1 | |
| SCHEMBL215395 | 0.67 | SERPINE1 (0.39) | L3MBTL1SRD5A1SRD5A2KDM4ENPC1 |
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-2003014115-A1 | 3-SUBSTITUTED PYRROLO (2.1-A) ISOQUINOLINE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2003-02-20 | — | — | WO | disclosed |
| WO-2003014117-A1 | 3-SUBSTITUTED PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES | BAYER CORPORATION (US) | 2003-02-20 | — | — | WO | disclosed |