Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL8547933 | 0.92 | CYP2A6 (0.51) | CYP2A6CA2SLC6A4HDAC10HDAC11 | |
| SCHEMBL8547709 | 0.81 | CYP2A6 (0.41) | CYP2A6CA2TAAR1MTNR1AMTNR1B | |
| SCHEMBL25987520 | 0.81 | HTR2A (0.52) | CYP2A6SLC6A4MTNR1AMTNR1BHTR2A | |
| SCHEMBL31588788 | 0.80 | CYP2A6 (0.67) | CYP2A6CA2HDAC10HDAC11HDAC8 | |
| SCHEMBL25029849 | 0.79 | MTNR1A (0.59) | MTNR1AMTNR1BHTR2AHTR2CHTR2B | |
| SCHEMBL8547530 | 0.79 | CYP2A6 (0.75) | CYP2A6CA2TAAR1HDAC10HDAC11 | |
| SCHEMBL10667334 | 0.78 | CYP2A6 (0.59) | CYP2A6CA2TAAR1HDAC10HDAC11 | |
| Hydrochloric Acid SCHEMBL23012014 | 0.78 | CYP2A6 (0.73) | CYP2A6CA2TAAR1HDAC10HDAC11 | |
| SCHEMBL25028208 | 0.77 | CYP2A6 (0.56) | CYP2A6CA2SLC6A4TAAR1MAPT | |
| SCHEMBL4255979 | 0.76 | CYP2A6 (0.71) | CYP2A6CA2HDAC10HDAC11HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5792763-A | MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS | ELI LILLY AND COMPANY (US) | 1998-08-11 | — | — | US | disclosed |
| EP-0835869-A2 | New serotonin 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |