Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 3/20 | 0.41 |
| ▸ | TNK2 | Q07912 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL456990 | 1.00 | TNF (0.46) | TNFALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL457022 | 1.00 | TNF (0.46) | TNFALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL456397 | 0.97 | TNF (0.43) | TNFALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL10279248 | 0.86 | SCN5A (0.42) | TNFALDH1A1SMN1; SMN2KDM4ESCN5A | |
| SCHEMBL455915 | 0.86 | SCN5A (0.42) | TNFALDH1A1SMN1; SMN2KDM4ESCN5A | |
| SCHEMBL457647 | 0.83 | ERN1 (0.43) | ERN1 | |
| SCHEMBL17425377 | 0.75 | ERN1 (0.47) | TNFERN1 | |
| SCHEMBL457529 | 0.75 | ERN1 (0.47) | TNFERN1 | |
| SCHEMBL457528 | 0.75 | ERN1 (0.47) | TNFERN1 | |
| SCHEMBL457597 | 0.73 | TTK (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012032031-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-15 | — | — | WO | disclosed |