Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.39 |
| ▸ | BRS3 | P32247 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15997340 | 0.85 | CYP2C19 (0.37) | CYP2C19TSHRDHFRSMN1; SMN2TDP1 | |
| SCHEMBL38656467 | 0.81 | CYP2C19 (0.49) | CYP2C19PLCG1BRS3CNR2CNR1 | |
| SCHEMBL16424227 | 0.81 | MAPT (0.41) | CYP2C19TSHRDHFRSMN1; SMN2TDP1 | |
| SCHEMBL1002566 | 0.80 | CYP2C19 (0.48) | CYP2C19PLCG1TSHRSMN1; SMN2LMNA | |
| SCHEMBL16423038 | 0.80 | DHFR (0.38) | CYP2C19TSHRDHFRSMN1; SMN2TDP1 | |
| SCHEMBL38655457 | 0.78 | CYP2C19 (0.43) | CYP2C19PLCG1BRS3SMN1; SMN2TDP1 | |
| SCHEMBL31292391 | 0.78 | CYP2C19 (0.46) | CYP2C19PLCG1BRS3CNR2NPSR1 | |
| SCHEMBL38655572 | 0.78 | CYP2C19 (0.46) | CYP2C19PLCG1BRS3POLBRAB9A | |
| SCHEMBL31292399 | 0.78 | CYP2C19 (0.46) | CYP2C19PLCG1BRS3SMN1; SMN2KDM4E | |
| SCHEMBL38656035 | 0.77 | CYP2C19 (0.43) | CYP2C19PLCG1BRS3CNR2CNR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165075-A4 | 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO INC (US) | 2002-04-10 | — | — | EP | disclosed |
| EP-1165075-A1 | 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 2002-01-02 | — | — | EP | disclosed |
| US-6180642-B1 | SEXUAL DISORDERS; CONTRACEPTIVES | MERCK & CO., INC. | 2001-01-30 | — | — | US | disclosed |
| WO-2000053180-A1 | 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 2000-09-14 | — | — | WO | disclosed |