Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.47 |
| ▸ | CES1 | P23141 | 5/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28423060 | 0.83 | CES2 (0.47) | CES2CES1ALOX15ALDH1A1KEAP1 | |
| SCHEMBL27883251 | 0.83 | CES2 (0.50) | CES2CES1ALDH1A1KEAP1TTR | |
| SCHEMBL1588995 | 0.81 | KEAP1 (0.53) | CES2CES1ALDH1A1KEAP1TTR | |
| SCHEMBL9834572 | 0.80 | CES2 (0.52) | CES2CES1ALOX15ALDH1A1KEAP1 | |
| SCHEMBL24006621 | 0.79 | CES2 (0.47) | CES2CES1ALDH1A1KEAP1TTR | |
| SCHEMBL24013508 | 0.79 | ALDH1A1 (0.46) | CES2CES1ALDH1A1KEAP1HPGD | |
| SCHEMBL165619 | 0.78 | CES2 (0.68) | CES2CES1ALOX15ALDH1A1KEAP1 | |
| SCHEMBL4727563 | 0.77 | TPMT (0.37) | CES2CES1ALOX15ALDH1A1 | |
| SCHEMBL23242477 | 0.77 | CES2 (0.45) | CES2ALOX15ALDH1A1KEAP1HPGD | |
| SCHEMBL1626671 | 0.77 | SMN1; SMN2 (0.47) | ALDH1A1MAOBNPC1RAB9AL3MBTL1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114835622-A | N-tert-butyl protection-3-substituted indole compound and preparation method thereof | 常州大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-103848829-B | Heteroaryl alkyne compounds and application thereof | 南京圣和药业股份有限公司 | 2017-04-12 | — | — | CN | disclosed |
| CN-103848829-A | Heteroaryl alkyne compounds and application thereof | NANJING SANHOME PHARMACEUTICAL CO LTD | 2014-06-11 | — | — | CN | disclosed |
| EP-1153013-B1 | 5-HT1F AGONISTS | LILLY CO ELI (US) | 2007-10-31 | — | — | EP | disclosed |
| US-6777428-B1 | INHIBIT PEPTIDE EXTRAVASATION DUE TO STIMULATION OF THE TRIGEMINAL GANGLIA, AND ARE THEREFORE USEFUL FOR THE TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS | ELI LILLY AND COMPANY | 2004-08-17 | — | — | US | disclosed |
| CN-1149195-C | 5-HTIF agonists | — | 2004-05-12 | — | — | CN | disclosed |
| CN-1340045-A | 5-HTIF agonists | LILLY CO ELI (US) | 2002-03-13 | — | — | CN | disclosed |
| EP-1153013-A2 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000047559-A2 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2000-08-17 | — | — | WO | disclosed |