Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPR1 | P16066 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL9344119 | 0.84 | MAPK1 (0.40) | ALDH1A1TDP1NPC1RAB9AKMT2A | |
| SCHEMBL9344169 | 0.82 | TSHR (0.39) | ALDH1A1TSHRRAB9AKMT2AGAA | |
| SCHEMBL9333378 | 0.81 | SMN1; SMN2 (0.44) | ALDH1A1ATMKMT2AMEN1 | |
| SCHEMBL18629428 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRKMT2AGAAHSD17B10 | |
| SCHEMBL9344949 | 0.76 | KDM4E (0.41) | ALDH1A1TSHREPHX2 | |
| SCHEMBL13559790 | 0.74 | PKM (0.48) | ALDH1A1TSHRNPC1RAB9AKMT2A | |
| SCHEMBL9330338 | 0.73 | SMN1; SMN2 (0.45) | ALDH1A1ATMKMT2AMEN1 | |
| SCHEMBL9329950 | 0.73 | EPHX1 (0.43) | KMT2AMEN1 | |
| SCHEMBL9333191 | 0.73 | EPHX1 (0.43) | KMT2AMEN1 | |
| SCHEMBL9344988 | 0.72 | EPHX2 (0.40) | ALDH1A1TSHRTDP1RAB9AEPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5280031-A | Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5030641-A | Treatment of angina pectoris, hypotensive agents | BOEHRINGER MANNHEIM GMBH (DE) | 1991-07-09 | — | — | US | disclosed |