Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.54 |
| ▸ | MEN1 | O00255 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8896309 | 0.98 | EPHX1 (0.56) | EPHX1KMT2AMEN1SMN1; SMN2IDO1 | |
| SCHEMBL197282 | 0.87 | SMN1; SMN2 (0.67) | EPHX1KMT2AMEN1SMN1; SMN2IDO1 | |
| SCHEMBL11236184 | 0.87 | NPC1 (0.50) | EPHX1KMT2AMEN1SMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL13584911 | 0.85 | NPC1 (0.48) | EPHX1KMT2AMEN1SMN1; SMN2HTT | |
| Methane SCHEMBL27454317 | 0.85 | SMN1; SMN2 (0.64) | EPHX1KMT2AMEN1SMN1; SMN2IDO1 | |
| Hydrochloric Acid SCHEMBL9486219 | 0.85 | SMN1; SMN2 (0.64) | EPHX1KMT2AMEN1SMN1; SMN2IDO1 | |
| Phosphonic Acid SCHEMBL10340566 | 0.83 | KMT2A (0.58) | EPHX1KMT2AMEN1SMN1; SMN2IDO1 | |
| SCHEMBL11983715 | 0.83 | EPHX1 (0.49) | EPHX1KMT2AMEN1SMN1; SMN2HTT | |
| SCHEMBL14592903 | 0.81 | ALDH1A1 (0.53) | EPHX1KMT2AMEN1SMN1; SMN2HTT | |
| SCHEMBL20315922 | 0.81 | RAB9A (0.49) | EPHX1KMT2AMEN1SMN1; SMN2HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0507317-B1 | Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives | OTSUKA PHARMA CO LTD (JP) | 1997-01-15 | — | — | EP | claimed |
| EP-0507317-B1 | Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives | OTSUKA PHARMA CO LTD (JP) | 1997-01-15 | — | — | EP | disclosed |
| EP-0507317-A2 | Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-10-07 | — | — | EP | disclosed |