Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 8/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10885575 | 0.79 | ACHE (0.43) | ALDH1A1TSHRACHEEPHX1MEN1 | |
| SCHEMBL499406 | 0.78 | — | — | |
| SCHEMBL22735084 | 0.76 | ECE1 (0.42) | ALDH1A1TSHRKDM4E | |
| SCHEMBL102217 | 0.73 | — | — | |
| SCHEMBL499676 | 0.73 | — | — | |
| SCHEMBL6420325 | 0.72 | EPHX1 (0.68) | ACHEEPHX1 | |
| SCHEMBL10803404 | 0.72 | ADRA1A (0.52) | TSHRACHEEPHX1 | |
| SCHEMBL6420176 | 0.72 | EPHX1 (0.68) | ACHEEPHX1 | |
| SCHEMBL294129 | 0.72 | — | — | |
| SCHEMBL166624 | 0.71 | TDP1 (0.58) | ALDH1A1TDP1EPHX1MEN1KMT2A |
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-1332135-A1 | TAGGING COMPOUNDS AND PROCESS FOR USE IN AIDA LIBRARIES | Novartis AG (CH) | 2003-08-06 | — | — | EP | disclosed |
| WO-2002036575-A1 | TAGGING COMPOUNDS AND PROCESS FOR USE IN AIDA LIBRARIES | NOVARTIS AG (CH) | 2002-05-10 | — | — | WO | disclosed |