Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19840964 | 0.91 | LMNA (0.38) | NOTUMCYP3A4ALDH1A1MAPTCYP1A2 | |
| SCHEMBL19841066 | 0.89 | CYP2C19 (0.47) | CYP3A4ALDH1A1MAPTCYP1A2GAA | |
| SCHEMBL19841175 | 0.87 | SMN1; SMN2 (0.50) | CYP3A4ALDH1A1MAPTCYP1A2SMN1; SMN2 | |
| SCHEMBL19840903 | 0.83 | CA12 (0.36) | CYP3A4ALDH1A1CYP1A2GAACYP2D6 | |
| SCHEMBL19840779 | 0.82 | — | — | |
| SCHEMBL19840798 | 0.80 | SMN1; SMN2 (0.47) | NOTUMALDH1A1MAPTCYP1A2CYP2C19 | |
| SCHEMBL19841143 | 0.80 | NPC1 (0.44) | NOTUMALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL19841003 | 0.76 | SMN1; SMN2 (0.44) | ALDH1A1MAPTCYP1A2GAACYP2D6 | |
| SCHEMBL19840787 | 0.75 | MEN1 (0.47) | MAPTGAASMN1; SMN2L3MBTL1TDP1 | |
| SCHEMBL19840778 | 0.74 | HDAC1 (0.36) | SMN1; SMN2NPC1RAB9ATDP1KMT2A |
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 |