Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.74 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7201051 | 0.88 | ALDH1A1 (0.86) | ALDH1A1NPSR1KMT2ACA12CA2 | |
| SCHEMBL812683 | 0.85 | ALDH1A1 (0.75) | ALDH1A1NPSR1KMT2ASMN1; SMN2CA12 | |
| SCHEMBL7094852 | 0.84 | ALDH1A1 (0.79) | ALDH1A1NPSR1KMT2ASMN1; SMN2CA12 | |
| SCHEMBL3898275 | 0.84 | LMNA (0.72) | ALDH1A1NPSR1CA12CA2CA9 | |
| SCHEMBL7097551 | 0.83 | ALDH1A1 (0.77) | ALDH1A1KMT2ASMN1; SMN2CA12CA2 | |
| SCHEMBL7092896 | 0.83 | ALDH1A1 (0.77) | ALDH1A1KMT2ASMN1; SMN2CA12CA2 | |
| SCHEMBL7093365 | 0.83 | ALDH1A1 (0.77) | ALDH1A1KMT2ASMN1; SMN2CA12CA2 | |
| SCHEMBL7095731 | 0.83 | ALDH1A1 (0.77) | ALDH1A1KMT2ASMN1; SMN2CA12CA2 | |
| SCHEMBL7095193 | 0.83 | ALDH1A1 (0.77) | ALDH1A1KMT2ASMN1; SMN2CA12CA2 | |
| SCHEMBL7095949 | 0.83 | ALDH1A1 (0.77) | ALDH1A1KMT2ASMN1; SMN2CA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | disclosed |