Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | CASP1 | P29466 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31568534 | 1.00 | TSHR (0.61) | TSHRCASP1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL9586283 | 0.81 | TP53 (0.61) | TSHRCASP1SMN1; SMN2ALDH1A1ERCC5 | |
| SCHEMBL31016399 | 0.79 | TSHR (0.54) | TSHRCASP1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2026918 | 0.79 | TSHR (0.54) | TSHRCASP1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2956458 | 0.79 | HSD17B10 (0.50) | TSHRCASP1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL9555501 | 0.77 | NOX1 (0.47) | TSHRCASP1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL27634539 | 0.77 | ALDH1A1 (0.43) | TSHRCASP1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL9542888 | 0.77 | GABRA1 (0.49) | SMN1; SMN2ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL21815227 | 0.76 | TSHR (0.61) | TSHRCASP1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL111279 | 0.76 | TSHR (1.00) | TSHRCASP1SMN1; SMN2ALDH1A1MEN1 |
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-5204482-A | Ethylenediamine monoamide heteroaryl derivatives | HOFFMAN-LAROCHE INC. (US) | 1993-04-20 | — | — | US | disclosed |
| US-5011849-A | Monoamine oxidase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 1991-04-30 | — | — | US | disclosed |
| US-4198428-A | PESTICIDES, MICROBIOCIDES, MOLLUSCOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1980-04-15 | — | — | US | disclosed |