Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
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 SCHEMBL23035300 | 0.99 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL23035258 | 0.86 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL23035179 | 0.85 | KMT2A (0.45) | ALDH1A1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL23035241 | 0.85 | DDX3X (0.43) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL23035266 | 0.85 | NPC1 (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL23035238 | 0.84 | SMN1; SMN2 (0.48) | ALDH1A1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL23035229 | 0.84 | ALDH1A1 (0.59) | ALDH1A1RAB9AMEN1KMT2ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL23035228 | 0.84 | KMT2A (0.44) | ALDH1A1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL23035236 | 0.84 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9AMAPTMEN1 | |
| SCHEMBL23035283 | 0.84 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9AMAPTMEN1 |
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-2742019-B1 | N1-CYCLIC AMINE-N5-SUBSTITUTED PHENYL BIGUANIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | IMMUNOMET THERAPEUTICS INC (US) | 2021-03-03 | — | — | EP | claimed |
| CN-103827083-B | N1-cyclammonium-N5-substituted-phenyl Biguanide derivative and preparation method thereof and the pharmaceutical composition containing this derivative | IMMUNOMET THERAPEUTICS INC. (US) | 2016-03-09 | — | — | CN | claimed |
| EP-2742019-B1 | N1-CYCLIC AMINE-N5-SUBSTITUTED PHENYL BIGUANIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | IMMUNOMET THERAPEUTICS INC (US) | 2021-03-03 | — | — | EP | disclosed |