Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9866653 | 0.95 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9865147 | 0.86 | MTNR1A (0.41) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL7180733 | 0.84 | LMNA (0.37) | SMN1; SMN2LMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL9867497 | 0.81 | KMT2A (0.38) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL9865989 | 0.81 | EBP (0.38) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| Gapromidine SCHEMBL1818477 | 0.81 | CYP1A2 (0.44) | RAB9ASMN1; SMN2HPGDALDH1A1CYP2D6 | |
| SCHEMBL9866660 | 0.80 | NPY1R (0.37) | — | |
| SCHEMBL9866021 | 0.80 | TEAD1 (0.43) | SMN1; SMN2LMNAL3MBTL1ALDH1A1MAPT | |
| SCHEMBL9877140 | 0.80 | ALDH1A1 (0.40) | NPC1RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL9865429 | 0.79 | EBP (0.32) | — |
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-5021431-A | H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion | HEUMANN PHARMA GMBH & CO. (DE) | 1991-06-04 | — | — | US | disclosed |
| EP-0199845-A1 | Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them | HEUMANN PHARMA GMBH & CO (DE) | 1986-11-05 | — | — | EP | disclosed |