Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21114340 | 0.79 | SMN1; SMN2 (0.47) | NPC1RAB9ATRPA1SMN1; SMN2HIF1A | |
| SCHEMBL6982772 | 0.79 | TRPA1 (0.47) | NPC1RAB9ATRPA1SMN1; SMN2HIF1A | |
| SCHEMBL16447717 | 0.79 | SLC6A2 (0.52) | TRPA1SMN1; SMN2HIF1AFDPSCYP1A2 | |
| SCHEMBL6565911 | 0.74 | TRPA1 (0.50) | NPC1RAB9ATRPA1SMN1; SMN2HIF1A | |
| SCHEMBL27507058 | 0.74 | SMN1; SMN2 (0.42) | NPC1RAB9ATRPA1SMN1; SMN2HIF1A | |
| SCHEMBL30853559 | 0.73 | TRPA1 (0.49) | NPC1RAB9ATRPA1SMN1; SMN2HIF1A | |
| SCHEMBL23152685 | 0.72 | CETP (0.41) | NPC1RAB9ATRPA1SMN1; SMN2HIF1A | |
| SCHEMBL23521342 | 0.72 | SMN1; SMN2 (0.47) | TRPA1SMN1; SMN2HIF1AFDPSCYP1A2 | |
| SCHEMBL23521341 | 0.72 | SMN1; SMN2 (0.47) | TRPA1SMN1; SMN2HIF1AFDPSCYP1A2 | |
| SCHEMBL25043590 | 0.71 | TRPA1 (0.55) | TRPA1SMN1; SMN2HIF1AFDPSCYP1A2 |
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-0941230-B1 | 1,3-DIPHOSPHINOPROPANE LIGANDS AND TRANSITION METAL COMPLEXES FORMED THEREFROM, THEIR PREPARATION AND USE | CONSIGLIO NAZIONALE RICERCHE (IT) | 2004-05-12 | — | — | EP | disclosed |