Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | STAT1 | P42224 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19840760 | 0.91 | NOTUM (0.42) | LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL19841175 | 0.89 | SMN1; SMN2 (0.50) | LMNAPOLBSMN1; SMN2ALDH1A1HTT | |
| SCHEMBL19840779 | 0.85 | — | — | |
| SCHEMBL19841066 | 0.84 | CYP2C19 (0.47) | LMNAALDH1A1HTTCYP1A2CYP3A4 | |
| SCHEMBL19840903 | 0.81 | CA12 (0.36) | LMNASMN1; SMN2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19840713 | 0.77 | CYP1A2 (0.49) | LMNAPOLBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL19840879 | 0.75 | CHRM2 (0.33) | — | |
| SCHEMBL19840809 | 0.72 | EPHX2 (0.41) | POLBSMN1; SMN2ALDH1A1HTTMAPT | |
| SCHEMBL19840820 | 0.72 | MAPT (0.39) | LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT | |
| SCHEMBL19841146 | 0.72 | NPC1 (0.35) | SMN1; SMN2ALDH1A1MAPTHPGDNPC1 |
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 |