Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1361699 | 0.83 | TDP1 (0.44) | TDP1ATMALDH1A1HIF1AVCAM1 | |
| SCHEMBL57498 | 0.77 | TDP1 (0.54) | TDP1ATMALDH1A1HIF1AVCAM1 | |
| SCHEMBL29361654 | 0.77 | TDP1 (0.54) | TDP1ATMALDH1A1HIF1AVCAM1 | |
| SCHEMBL18311461 | 0.76 | TDP1 (0.56) | TDP1ATMALDH1A1HIF1AVCAM1 | |
| SCHEMBL8994176 | 0.74 | CES2 (0.37) | BCHECES1 | |
| SCHEMBL29888274 | 0.74 | TDP1 (0.50) | TDP1ATMALDH1A1HIF1AVCAM1 | |
| SCHEMBL574038 | 0.74 | TDP1 (0.50) | TDP1ATMALDH1A1HIF1AVCAM1 | |
| SCHEMBL825499 | 0.74 | TDP1 (0.50) | TDP1ATMALDH1A1HIF1AVCAM1 | |
| SCHEMBL30924883 | 0.74 | TDP1 (0.50) | TDP1ATMALDH1A1HIF1AVCAM1 | |
| SCHEMBL8004963 | 0.73 | ALDH1A1 (0.41) | ALDH1A1HIF1AMAPTSMN1; SMN2LMNA |
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-2427462-A1 | PYRROLO [2, 3. B]PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE | Plexxikon, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010129567-A1 | PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE | PLEXXIKON, INC. (US) | 2010-11-11 | — | — | WO | disclosed |