Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | MGLL | Q99685 | 1/20 | 0.56 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5210218 | 0.99 | CES2 (0.55) | CES2CES1MGLLHSD11B1TP53 | |
| SCHEMBL29433469 | 0.91 | CES2 (0.64) | CES2CES1MGLLHSD11B1TP53 | |
| SCHEMBL6175481 | 0.91 | CES2 (0.64) | CES2CES1MGLLHSD11B1TP53 | |
| SCHEMBL29408246 | 0.88 | CES2 (0.60) | CES2CES1MGLLHSD11B1TP53 | |
| SCHEMBL22658456 | 0.88 | ALDH1A1 (0.61) | CES2CES1MGLLHSD11B1TP53 | |
| SCHEMBL29433310 | 0.88 | ALDH1A1 (0.61) | CES2CES1MGLLHSD11B1TP53 | |
| SCHEMBL22658096 | 0.88 | CES2 (0.60) | CES2CES1MGLLHSD11B1TP53 | |
| Bicarbonate SCHEMBL11470070 | 0.87 | TP53 (0.61) | CES2CES1MGLLHSD11B1TP53 | |
| SCHEMBL7785407 | 0.87 | ALDH1A1 (0.63) | CES2CES1MGLLHSD11B1TP53 | |
| Bicarbonate SCHEMBL6614524 | 0.84 | ALDH1A1 (0.60) | CES2CES1MGLLHSD11B1TP53 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1153013-B1 | 5-HT1F AGONISTS | LILLY CO ELI (US) | 2007-10-31 | — | — | EP | claimed |
| 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 | claimed |
| EP-1153013-A2 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2001-11-14 | — | — | EP | claimed |
| WO-2000047559-A2 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2000-08-17 | — | — | WO | claimed |
| 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 |
| 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 |