Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.42 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL944091 | 0.82 | BCAT2 (0.63) | BCAT2CYP2C19KMT2ATSHRHSD17B10 | |
| SCHEMBL5215160 | 0.81 | BCAT2 (0.61) | BCAT2ALDH1A1KMT2APLA2G2AFOLH1 | |
| SCHEMBL7364274 | 0.79 | CYP1A2 (0.60) | CYP1A2SMN1; SMN2FFAR1LMNARAB9A | |
| SCHEMBL7441533 | 0.79 | CYP1A2 (0.60) | CYP1A2SMN1; SMN2FFAR1LMNARAB9A | |
| SCHEMBL98419 | 0.74 | CYP1A2 (0.54) | CYP1A2SMN1; SMN2FFAR1LMNARAB9A | |
| SCHEMBL10790803 | 0.74 | SMN1; SMN2 (0.56) | CYP1A2SMN1; SMN2FFAR1LMNARAB9A | |
| Fenbufen SCHEMBL25117 | 0.73 | SMN1; SMN2 (1.00) | CYP1A2SMN1; SMN2FFAR1LMNARAB9A | |
| Fenbufen SCHEMBL11329267 | 0.73 | SMN1; SMN2 (1.00) | CYP1A2SMN1; SMN2FFAR1LMNARAB9A | |
| SCHEMBL4030359 | 0.73 | BCAT2 (0.63) | BCAT2ALDH1A1GAAIKBKB | |
| SCHEMBL3794623 | 0.73 | BCAT2 (0.63) | HIF1ABCAT2ALDH1A1CYP2C19KMT2A |
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 |