Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11587097 | 0.86 | CYP2C9 (0.39) | TSHRMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL11585751 | 0.83 | ALDH1A1 (0.39) | SMN1; SMN2LMNATSHRMEN1KMT2A | |
| SCHEMBL11586952 | 0.83 | ALDH1A1 (0.46) | SMN1; SMN2LMNATSHRMEN1KMT2A | |
| SCHEMBL11632020 | 0.83 | ALDH1A1 (0.43) | SMN1; SMN2LMNATSHRMEN1KMT2A | |
| SCHEMBL11588145 | 0.81 | ALDH1A1 (0.43) | SMN1; SMN2LMNATSHRALDH1A1NPSR1 | |
| SCHEMBL11882597 | 0.79 | HTT (0.38) | SMN1; SMN2LMNATSHRALDH1A1NPSR1 | |
| SCHEMBL11587148 | 0.78 | EGFR (0.49) | TSHRMAPTCYP1A2 | |
| SCHEMBL11587254 | 0.78 | EGFR (0.40) | SMN1; SMN2LMNAMAPT | |
| SCHEMBL11587935 | 0.77 | ALDH1A1 (0.40) | SMN1; SMN2LMNATSHRKMT2AALDH1A1 | |
| SCHEMBL11585500 | 0.75 | EGFR (0.40) | MEN1KMT2AMAPTCYP2C9PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4070387-A | ANTIARRHYTHMIC AGENTS | MERCK & CO., INC. (US) | 1978-01-24 | — | — | US | disclosed |
| US-4020096-A | ANTIARRYTHMIA | MERCK & CO., INC. (US) | 1977-04-26 | — | — | US | disclosed |
| US-3950423-A | 10,11-Dihydro-10,10,11,11-tetrafluoro-5H-dibenzo[a,d]cycloheptene-5-methylamines | MERCK & CO., INC. (US) | 1976-04-13 | — | — | US | disclosed |