Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 5/20 | 0.54 |
| ▸ | CES2 | O00748 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28751793 | 0.90 | TDP1 (0.52) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL11650551 | 0.86 | PGR (0.48) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL24188 | 0.84 | TDP1 (0.56) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL2358014 | 0.84 | ATM (0.64) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL9714996 | 0.83 | PGR (0.46) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL28602310 | 0.83 | LMNA (0.59) | TDP1L3MBTL1CES1CES2LMNA | |
| Water SCHEMBL27597000 | 0.82 | TDP1 (0.54) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL11287856 | 0.82 | TDP1 (0.54) | TDP1L3MBTL1CES1CES2LMNA | |
| Hydrochloric Acid SCHEMBL27977560 | 0.82 | TDP1 (0.54) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL2849585 | 0.82 | CES1 (0.58) | TDP1L3MBTL1CES1CES2LMNA |
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-2529388-A1 | FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY | Micromass UK Limited (GB) | 2012-12-05 | — | — | EP | disclosed |
| WO-2011092515-A1 | FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY | MICROMASS UK LIMITED (GB) | 2011-08-04 | — | — | WO | disclosed |