Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 2/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
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 SCHEMBL1410650 | 0.98 | CRHBP (0.48) | CRHBPCRHR2AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL1574429 | 0.84 | AKR1C3 (0.58) | CRHBPCRHR2AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL31149003 | 0.84 | CRHBP (0.50) | CRHBPCRHR2AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL31149000 | 0.84 | CRHBP (0.50) | CRHBPCRHR2AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL31149005 | 0.84 | CRHBP (0.50) | CRHBPCRHR2AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL261231 | 0.83 | KIF11 (0.54) | CRHBPCRHR2AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL31149001 | 0.81 | CRHBP (0.48) | CRHBPCRHR2AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL31357785 | 0.81 | CRHBP (0.55) | CRHBPCRHR2AKR1C3ALDH1A1AKR1C1 | |
| SCHEMBL16354091 | 0.80 | CRHBP (0.51) | CRHBPCRHR2AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL2079660 | 0.80 | CPN1 (0.49) | CRHBPCRHR2AKR1C3AKR1C2ALDH1A1 |
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-0438230-B1 | Indole-substituted five-membered heteroaromatic compounds | MERCK SHARP & DOHME (GB) | 1997-04-23 | — | — | EP | disclosed |
| US-5317103-A | Migraine treatment | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-31 | — | — | US | disclosed |
| EP-0438230-A2 | Indole-substituted five-membered heteroaromatic compounds | MERCK SHARP & DOHME LTD. (GB) | 1991-07-24 | — | — | EP | disclosed |