Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6173883 | 0.85 | TRPA1 (0.39) | LMNATSHRKDM4EALDH1A1HPGD | |
| SCHEMBL4748281 | 0.71 | TRPA1 (0.34) | ALDH1A1HPGDCA12CA9ALOX5 | |
| SCHEMBL861555 | 0.70 | TRPA1 (0.32) | TRPA1 | |
| SCHEMBL5944362 | 0.67 | ALDH1A1 (0.44) | LMNATSHRKDM4EALDH1A1ALOX5 | |
| SCHEMBL15320562 | 0.67 | CA1 (0.38) | TRPA1 | |
| SCHEMBL3519587 | 0.66 | GAA (0.31) | DAOTSHRNAPRTALDH1A1GAA | |
| Oxalic Acid SCHEMBL10499933 | 0.66 | MEN1 (0.32) | KDM4EALDH1A1MAPTPOLBCYP2C9 | |
| SCHEMBL11830486 | 0.66 | TRPA1 (0.35) | KDM4ETRPA1 | |
| Urea SCHEMBL8887503 | 0.66 | TRPA1 (0.40) | LMNATSHRTRPA1 | |
| Acetic Acid SCHEMBL25341096 | 0.64 | TRPA1 (0.31) | LMNAKDM4EALDH1A1HPGDCA12 |
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 3 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 |
| WO-2021066578-A1 | BICYCLIC COMPOUND AND USE THEREOF | 에스케이바이오팜 주식회사 | 2021-04-08 | — | — | WO | disclosed |