Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL903101 | 0.81 | NOTUM (0.41) | NOTUM | |
| SCHEMBL470298 | 0.73 | HCAR2 (0.36) | — | |
| SCHEMBL902697 | 0.71 | GAA (0.32) | ALDH1A1MAPT | |
| SCHEMBL10081881 | 0.69 | KDM4E (0.40) | ALDH1A1POLBMAPT | |
| SCHEMBL1082810 | 0.62 | NOTUM (1.00) | NOTUMALDH1A1MAPK1SMN1; SMN2MAPT | |
| SCHEMBL14492505 | 0.60 | — | — | |
| SCHEMBL27409174 | 0.60 | NOTUM (0.59) | NOTUMALDH1A1MAPK1SMN1; SMN2MAPT | |
| SCHEMBL11860616 | 0.58 | NOTUM (0.61) | NOTUMALDH1A1MAPK1SMN1; SMN2MAPT | |
| SCHEMBL4585396 | 0.58 | NOTUM (0.61) | NOTUMALDH1A1MAPK1SMN1; SMN2POLB | |
| SCHEMBL23788340 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012044531-A1 | NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012033736-A1 | NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |