Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6173888 | 0.85 | HSD17B3 (0.35) | HSD17B3NOTUMNPC1RAB9AHPGD | |
| SCHEMBL1897112 | 0.82 | SMN1; SMN2 (0.46) | NPC1RAB9AHPGDGAAKDM4E | |
| SCHEMBL30025878 | 0.81 | MEN1 (0.42) | HSD17B3NOTUMNPC1RAB9ARIPK1 | |
| SCHEMBL1897109 | 0.80 | GAA (0.43) | NPC1RAB9AALDH1A1GAASMN1; SMN2 | |
| SCHEMBL10576926 | 0.77 | MAOA (0.35) | HSD17B3NOTUMNPC1RAB9AHPGD | |
| SCHEMBL10370451 | 0.72 | MAOA (0.35) | HSD17B3NOTUMNPC1RAB9ATSHR | |
| SCHEMBL27529391 | 0.71 | MAOA (0.31) | HSD17B3TSHRMAOAMAOB | |
| SCHEMBL29950507 | 0.70 | HDAC3 (0.43) | HSD17B3NOTUMNPC1RAB9AHPGD | |
| SCHEMBL304994 | 0.70 | HDAC3 (0.43) | HSD17B3NOTUMNPC1RAB9AHPGD | |
| Hydrochloric Acid SCHEMBL7007436 | 0.69 | HDAC3 (0.43) | HSD17B3NOTUMNPC1RAB9ATSHR |
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 |