Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 7/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | UGCG | Q16739 | 1/20 | 0.41 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5854038 | 1.00 | TDP1 (0.47) | TDP1L3MBTL1MEN1KMT2AIDO1 | |
| SCHEMBL28460059 | 0.83 | PKM (0.51) | TDP1L3MBTL1MEN1KMT2AIDO1 | |
| SCHEMBL9618007 | 0.83 | PKM (0.51) | TDP1L3MBTL1MEN1KMT2AIDO1 | |
| SCHEMBL9234580 | 0.83 | PKM (0.51) | TDP1L3MBTL1MEN1KMT2AIDO1 | |
| SCHEMBL13269812 | 0.82 | L3MBTL1 (0.40) | TDP1L3MBTL1IDO1AGXTCA1 | |
| Glycidol SCHEMBL19463580 | 0.81 | CA1 (0.45) | TDP1L3MBTL1IDO1AGXTPKM | |
| SCHEMBL26986032 | 0.80 | TDP1 (0.41) | TDP1L3MBTL1IDO1AGXTCA1 | |
| SCHEMBL8805151 | 0.80 | DRD2 (0.53) | PKMMAOB | |
| SCHEMBL334304 | 0.80 | MEN1 (0.68) | TDP1MEN1KMT2AGBA1UGCG | |
| SCHEMBL2186409 | 0.80 | MEN1 (0.68) | TDP1MEN1KMT2AGBA1UGCG |
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-2017165170-A1 | ELECTRON WITHDRAWING GROUP SUBSTITUTED AND MACROCYCLIC PGJ3 ANALOGS AND METHODS OF TREATMENT THEREOF | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-09-28 | — | — | WO | disclosed |
| WO-2015048268-A1 | SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2015-04-02 | — | — | WO | disclosed |