Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MOK | Q9UQ07 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7229740 | 1.00 | KDM4E (0.64) | KDM4EALDH1A1TSHRLMNACYP2C9 | |
| SCHEMBL6163959 | 1.00 | KDM4E (0.64) | KDM4EALDH1A1TSHRLMNACYP2C9 | |
| SCHEMBL6163364 | 0.84 | CYP2C9 (0.74) | KDM4EALDH1A1TSHRLMNACYP2C9 | |
| SCHEMBL17434243 | 0.80 | SMN1; SMN2 (0.61) | KDM4EALDH1A1TSHRLMNACYP2C9 | |
| SCHEMBL17434236 | 0.80 | ALOX5AP (0.49) | ALDH1A1TSHRLMNACYP2C9TRPV1 | |
| SCHEMBL17434244 | 0.80 | SMN1; SMN2 (0.61) | KDM4EALDH1A1TSHRLMNACYP2C9 | |
| SCHEMBL17434234 | 0.80 | ALOX5AP (0.49) | ALDH1A1TSHRLMNACYP2C9TRPV1 | |
| SCHEMBL6163206 | 0.76 | KDM4E (0.59) | KDM4EALDH1A1TSHRLMNACYP2C9 | |
| SCHEMBL6161778 | 0.76 | KDM4E (0.59) | KDM4EALDH1A1TSHRLMNACYP2C9 | |
| SCHEMBL6161828 | 0.76 | KDM4E (0.59) | KDM4EALDH1A1TSHRLMNACYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6559163-B2 | Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression | NEUROGEN CORPORATION | 2003-05-06 | — | — | US | disclosed |