Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | HTR2B | P41595 | 2/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401693 | 0.81 | HTR2C (0.55) | ALDH1A1TSHRSMN1; SMN2NPSR1HTR2C | |
| SCHEMBL14621966 | 0.80 | EPHX2 (0.59) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL14578174 | 0.80 | EPHX2 (0.61) | ALDH1A1TSHRSMN1; SMN2NPSR1SRC | |
| SCHEMBL13791083 | 0.79 | SYK (0.59) | ALDH1A1TSHRSMN1; SMN2NPSR1HTR2C | |
| SCHEMBL3548030 | 0.78 | NPC1 (0.52) | ALDH1A1TSHRSMN1; SMN2NPSR1SRC | |
| SCHEMBL5319656 | 0.78 | KDM4E (0.70) | ALDH1A1TSHRSMN1; SMN2CYP2D6KDM4E | |
| SCHEMBL12837450 | 0.78 | ALDH1A1 (0.60) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| Ammonia Solution, Strong SCHEMBL4267670 | 0.77 | KDM4E (0.68) | ALDH1A1TSHRSMN1; SMN2CYP2D6KDM4E | |
| SCHEMBL12764910 | 0.77 | EPHX2 (0.63) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL7010009 | 0.77 | HTR2C (0.49) | TSHRHTR2CHTR2BKDRCYP2D6 |
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-2247591-A1 | PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS | Novartis AG (CH) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009098236-A1 | PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-08-13 | — | — | WO | disclosed |