Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13938683 | 0.90 | MAPK14 (0.47) | AKR1C3MAPK14MAPK11SCN9A | |
| SCHEMBL3243118 | 0.84 | LCK (0.49) | AKR1C3MAPK14MAPK3 | |
| SCHEMBL3267755 | 0.81 | HPGD (0.55) | KMT2AMAPK3LMNAPOLB | |
| SCHEMBL19175102 | 0.80 | SCN9A (0.52) | MAPK14MAPK11SCN9A | |
| SCHEMBL3240053 | 0.79 | KDM4E (0.58) | HDAC8KMT2AHDAC1HDAC6LMNA | |
| SCHEMBL8973678 | 0.76 | RAPGEF4 (0.54) | KMT2ATSHRNFKB1POLB | |
| SCHEMBL13938681 | 0.74 | MAPK14 (0.54) | MAPK14MAPK11 | |
| SCHEMBL9010642 | 0.73 | CA12 (0.46) | TSHRNFKB1 | |
| SCHEMBL13938780 | 0.73 | POLB (0.46) | KMT2AMAPK14ABL1PDGFRBBCR | |
| SCHEMBL12229805 | 0.70 | MAPK14 (0.57) | MAPK14MAPK11MAPK3 |
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-1409463-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | Bristol-Myers Squibb Company (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003002542-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-01-09 | — | — | WO | disclosed |