Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 8/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.31 |
| ▸ | KDM6B | O15054 | 1/20 | 0.31 |
| ▸ | TET3 | O43151 | 1/20 | 0.31 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10378912 | 0.78 | KDM4E (0.40) | HCAR3KDM4EALDH1A1GAAPKM | |
| SCHEMBL15907100 | 0.74 | MAPK13 (0.49) | HCAR3KDM4EMAPK13JMJD6MEN1 | |
| SCHEMBL22958082 | 0.74 | NR4A1 (0.42) | HCAR3KDM4EALDH1A1JMJD6HPGD | |
| SCHEMBL17229830 | 0.74 | MAPK13 (0.49) | HCAR3MAPK13JMJD6HPGDHCAR2 | |
| SCHEMBL15900088 | 0.74 | DNMT1 (0.45) | HCAR3KDM4EALDH1A1GAAHPGD | |
| SCHEMBL29119692 | 0.67 | KDM4E (0.50) | KDM4EALDH1A1GAAPKMJMJD6 | |
| SCHEMBL973778 | 0.67 | TDP1 (0.45) | KDM4EALDH1A1GAAPKMAKT1 | |
| SCHEMBL9753645 | 0.65 | NPC1 (0.47) | KDM4EALDH1A1GAAPKMJMJD6 | |
| SCHEMBL30864250 | 0.65 | JMJD6 (0.37) | HCAR3KDM4EALDH1A1GAAPKM | |
| SCHEMBL22366513 | 0.65 | TDP1 (0.42) | KDM4EALDH1A1GAAAKT1AKT2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9944644-B2 | Octahydropyrrolopyrroles their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-17 | — | — | US | disclosed |