Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28492551 | 0.86 | KMT2A (0.39) | ALDH1A1IMPDH2CNR1CNR2POLB | |
| SCHEMBL28495147 | 0.85 | PTGS2 (0.43) | ALDH1A1L3MBTL1POLBAPEX1CTDSP1 | |
| SCHEMBL15901985 | 0.81 | ALDH1A1 (0.36) | ALDH1A1IMPDH2POLBTDP1KDM4E | |
| SCHEMBL1229812 | 0.81 | ERN1 (0.42) | ALDH1A1ERN1MEN1KMT2A | |
| SCHEMBL15902473 | 0.81 | ALDH1A1 (0.39) | ALDH1A1IMPDH2L3MBTL1POLBAPEX1 | |
| SCHEMBL20503064 | 0.81 | CYP2A6 (0.41) | ALDH1A1IMPDH2CNR1CNR2L3MBTL1 | |
| SCHEMBL28490523 | 0.81 | HPGD (0.38) | ALDH1A1L3MBTL1POLBERN1KDM4E | |
| SCHEMBL28489226 | 0.80 | HTR2C (0.39) | ALDH1A1L3MBTL1MEN1NPC1RAB9A | |
| SCHEMBL249361 | 0.80 | ERN1 (0.33) | ALDH1A1IMPDH2L3MBTL1POLBAPEX1 | |
| SCHEMBL28495086 | 0.79 | PTGS2 (0.46) | POLBMEN1KMT2A |
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-2012001308-A9 | METHOD FOR SYNTHESIZING ERGOLINE ALKALOIDS FROM INDOLIC BICYCLIC COMPOUNDS BY DOUBLE CYCLIZATION, RESULTING MATERIALS, AND INTERMEDIATE MATERIALS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012001308-A1 | METHOD FOR SYNTHESIZING ERGOLINE ALKALOIDS FROM INDOLIC BICYCLIC COMPOUNDS BY DOUBLE CYCLIZATION, RESULTING MATERIALS, AND INTERMEDIATE MATERIALS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-01-05 | — | — | WO | disclosed |