Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GLS | O94925 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5579493 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL5579577 | 0.91 | KDM4E (0.41) | KMT2AMEN1KDM4ENPC1RAB9A | |
| SCHEMBL5579585 | 0.91 | KDM4E (0.41) | KMT2AMEN1KDM4ENPC1RAB9A | |
| SCHEMBL5126861 | 0.90 | BACE1 (0.38) | CYP2C9CYP2C19KMT2ATSHRMEN1 | |
| SCHEMBL5579513 | 0.89 | KMT2A (0.38) | KMT2AGLSTSHRMEN1ALDH1A1 | |
| SCHEMBL5579505 | 0.89 | KMT2A (0.38) | KMT2AGLSTSHRMEN1ALDH1A1 | |
| SCHEMBL6701611 | 0.82 | BACE1 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL5124411 | 0.81 | KMT2A (0.42) | KMT2A | |
| SCHEMBL5124419 | 0.81 | KMT2A (0.42) | KMT2A | |
| SCHEMBL5580063 | 0.81 | GRM5 (0.41) | — |
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-7294642-B2 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | US | claimed |