Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.30 |
| ▸ | KDM4A | O75164 | 1/20 | 0.30 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.30 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.30 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22951198 | 0.83 | PYGL (0.39) | PYGLCA12CA1CA2CA9 | |
| SCHEMBL22305724 | 0.81 | PYGL (0.38) | PYGLCA12CA1CA2CA9 | |
| SCHEMBL3402497 | 0.78 | ADH1B (0.40) | PYGLCA12CA1CA2CA9 | |
| SCHEMBL8623620 | 0.77 | CA1 (0.41) | PYGLCA12CA1CA2CA9 | |
| SCHEMBL12227388 | 0.75 | CA12 (0.42) | CA12CA1CA2CA9 | |
| SCHEMBL17689169 | 0.75 | PYGL (0.40) | PYGLCA12CA1CA2CA9 | |
| SCHEMBL14930120 | 0.75 | — | — | |
| SCHEMBL12734485 | 0.75 | ALDH1A1 (0.42) | PYGLCA12CA1CA2CA9 | |
| SCHEMBL3402498 | 0.74 | CA12 (0.35) | PYGLCA12CA1CA2CA9 | |
| SCHEMBL12253911 | 0.74 | CA12 (0.35) | PYGLCA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8394789-B2 | (Dihydro)pyrrolo[2,1-α]isoquinolines | MSD OSS B.V. (NL) | 2013-03-12 | — | — | US | disclosed |
| EP-2252611-A1 | (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES | N.V. Organon (NL) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009098283-A1 | (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES | N.V. ORGANON (NL) | 2009-08-13 | — | — | WO | disclosed |