Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 9/20 | 0.43 |
| ▸ | NPC1 | O15118 | 8/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19840809 | 0.89 | EPHX2 (0.41) | EPHX2RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL19841033 | 0.88 | NPC1 (0.39) | RAB9ANPC1SMN1; SMN2TP53KMT2A | |
| SCHEMBL19841133 | 0.82 | HDAC3 (0.31) | HDAC3HDAC1 | |
| SCHEMBL19841175 | 0.82 | SMN1; SMN2 (0.50) | RAB9ANPC1SMN1; SMN2HPGDKMT2A | |
| SCHEMBL19841157 | 0.81 | KDM4E (0.30) | HPGDALDH1A1 | |
| SCHEMBL19840707 | 0.80 | MAPT (0.39) | EPHX2RAB9ANPC1SMN1; SMN2STAT1 | |
| SCHEMBL19841032 | 0.79 | NPC1 (0.40) | EPHX2RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL19841076 | 0.78 | RAB9A (0.38) | RAB9ANPC1SMN1; SMN2TP53HPGD | |
| SCHEMBL19841109 | 0.78 | HSP90AA1 (0.33) | SMN1; SMN2 | |
| SCHEMBL19840886 | 0.78 | APP (0.40) | NPC1SMN1; SMN2TP53MAPK1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9884832-B2 | Inhibitors targeting drug-resistant influenza A | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-02-06 | — | — | US | disclosed |