Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 6/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8042030 | 0.80 | HSD17B10 (0.46) | TSHRTP53GAACYP3A4ALDH1A1 | |
| SCHEMBL16127616 | 0.76 | ALDH1A1 (0.48) | CA1CA2CA12CA7CA9 | |
| SCHEMBL22781556 | 0.74 | MAP4K4 (0.40) | CA9CA14TSHRTP53ALDH1A1 | |
| SCHEMBL22509494 | 0.74 | RAPGEF4 (0.34) | TSHRCYP3A4ALDH1A1MAPK1HSD17B10 | |
| SCHEMBL14135197 | 0.74 | MCL1 (0.38) | TSHRTP53GAACYP3A4ALDH1A1 | |
| SCHEMBL534830 | 0.70 | — | — | |
| SCHEMBL31272965 | 0.70 | — | — | |
| SCHEMBL18964945 | 0.70 | HTR3E (0.47) | LMNA | |
| SCHEMBL2489812 | 0.70 | CYP3A4 (0.46) | GAACYP3A4KDM4ENPC1RAB9A | |
| SCHEMBL21417380 | 0.70 | ALDH1A1 (0.50) | CA1CA2CA12CA7CA9 |
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-3545956-B1 | 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H- PYRROLO[2,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS | ARRIEN PHARMACEUTICALS LLC (US) | 2020-12-16 | — | — | EP | disclosed |
| EP-2801577-A1 | Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters | Euticals S.P.A. (IT) | 2014-11-12 | — | — | EP | disclosed |