Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11203155 | 0.85 | CES2 (0.56) | CES2CES1KMT2AHSD11B1PARP1 | |
| SCHEMBL11152650 | 0.84 | KMO (0.49) | KMT2AKMOL3MBTL1 | |
| SCHEMBL7797484 | 0.84 | KMO (0.57) | CES2CES1KMT2AHSD11B1PARP1 | |
| SCHEMBL7797487 | 0.84 | KMO (0.57) | CES2CES1KMT2AHSD11B1PARP1 | |
| SCHEMBL7801993 | 0.84 | KMO (0.57) | CES2CES1KMT2AHSD11B1PARP1 | |
| SCHEMBL19984840 | 0.83 | CES2 (0.57) | CES2CES1KMT2AHSD11B1PARP1 | |
| SCHEMBL1980988 | 0.83 | CES2 (0.61) | CES2CES1KMT2AHSD11B1PARP1 | |
| Hydrochloric Acid SCHEMBL27450878 | 0.82 | KMO (0.56) | CES2CES1KMT2AHSD11B1PARP1 | |
| Hydrochloric Acid SCHEMBL27450876 | 0.82 | KMO (0.56) | CES2CES1KMT2AHSD11B1PARP1 | |
| SCHEMBL10900532 | 0.81 | KMT2A (0.52) | CES2CES1KMT2AHSD11B1PARP1 |
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-1534693-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | claimed |
| WO-2004022523-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | claimed |