Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | PAM | P19021 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4644762 | 0.86 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL248113 | 0.82 | ALDH1A1 (0.65) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL16439989 | 0.81 | TSHR (0.68) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL4645899 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL4414630 | 0.79 | TSHR (0.59) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL22285867 | 0.79 | MAPK1 (0.53) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL27593212 | 0.79 | ALDH1A1 (0.57) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL27738415 | 0.78 | MAPK1 (0.61) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL10921983 | 0.77 | TSHR (0.57) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL15532005 | 0.77 | SLC7A5 (0.58) | ALDH1A1MAPK1L3MBTL1PAMTSHR |
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-2414356-A2 | PROPANE- I-SULFONIC ACID {3- [5- (4 -CHLORO-PHENYL) -1H-PYRROLO [2, 3-B] PYRIDINE-3-CARBONYL] -2, 4-DIFLUORO-PHENY L } -AMIDE COMPOSITIONS AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114928-A2 | COMPOSITIONS AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2010-10-07 | — | — | WO | disclosed |