Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.47 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.47 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13727214 | 1.00 | ALDH1A1 (0.55) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL16621832 | 1.00 | ALDH1A1 (0.55) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL478307 | 0.88 | ALDH1A1 (0.71) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL22474755 | 0.88 | ALDH1A1 (0.71) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL15014489 | 0.88 | ALDH1A1 (0.71) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL10282539 | 0.87 | ALDH1A1 (0.67) | ALDH1A1LMNAMEN1KMT2ANPC1 | |
| SCHEMBL19240755 | 0.86 | ALDH1A1 (0.64) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL19528315 | 0.84 | MEN1 (0.65) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL10274495 | 0.84 | MEN1 (0.65) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL24456999 | 0.83 | ALDH1A1 (0.55) | ALDH1A1LMNAMEN1KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3210971-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-08-30 | — | — | EP | disclosed |