Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | P2RX4 | Q99571 | 4/20 | 0.32 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31463623 | 0.85 | TSHR (0.36) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL28255971 | 0.80 | SMN1; SMN2 (0.39) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL28228979 | 0.70 | KMT2A (0.37) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL24467797 | 0.68 | MEN1 (0.36) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL5107389 | 0.67 | HTR1A (0.36) | HTR2AHTR6 | |
| SCHEMBL22694317 | 0.67 | MEN1 (0.37) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL22202241 | 0.67 | SMN1; SMN2 (0.43) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL28886571 | 0.66 | SMN1; SMN2 (0.42) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL3625895 | 0.66 | SMN1; SMN2 (0.39) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL5527248 | 0.66 | ALDH1A1 (0.42) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 |
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-6500953-B1 | AMIDATION OF 3-AMINOMETHYL-2-BROMOQUINOLINE DERIVATIVE WITH 4-ETHYL-2-METHYLHEPTA-2,4-DIENOIC ACID; REPLACING BROMINE WITH 2-METHOXYCARBONYLVINYL GROUP; CYCLIZATION, OZONOLYSIS, SAPONIFICATION AND DECARBOXYLATION | AVENTIS PHARMA S.A. (FR) | 2002-12-31 | — | — | US | disclosed |
| EP-1100799-B1 | PREPARATION OF CAMPTOTHECIN AND NOTHAPODYTINE DERIVATIVES | AVENTIS PHARMA SA (FR) | 2002-02-13 | — | — | EP | disclosed |