Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18172538 | 1.00 | HDAC1 (0.51) | HDAC1KMT2AMEN1RAB9ASSTR3 | |
| SCHEMBL29056584 | 0.91 | HDAC1 (0.59) | HDAC1KMT2AMEN1RAB9ASSTR3 | |
| SCHEMBL18172646 | 0.84 | HDAC1 (0.48) | HDAC1KMT2AMEN1ALDH1A1CHEK1 | |
| SCHEMBL18172649 | 0.84 | HDAC1 (0.48) | HDAC1KMT2AMEN1ALDH1A1CHEK1 | |
| SCHEMBL791504 | 0.83 | CHEK1 (0.54) | HDAC1KMT2AMEN1RAB9ASSTR3 | |
| SCHEMBL21089268 | 0.83 | HDAC1 (0.72) | HDAC1KMT2AMEN1RAB9ASSTR3 | |
| SCHEMBL18023358 | 0.82 | HDAC1 (0.51) | HDAC1KMT2AMEN1RAB9ASSTR3 | |
| Terephthalic Acid SCHEMBL31485057 | 0.82 | TSHR (0.55) | KMT2AALDH1A1 | |
| Terephthalic Acid SCHEMBL87786 | 0.82 | TSHR (0.55) | KMT2AALDH1A1 | |
| SCHEMBL13799812 | 0.81 | HDAC1 (0.50) | HDAC1KMT2AMEN1RAB9ASSTR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3286172-A1 | LSD1 INHIBITORS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2018-02-28 | — | — | EP | disclosed |
| WO-2016172496-A1 | LSD1 INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-10-27 | — | — | WO | disclosed |