Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 4/20 | 0.33 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8537184 | 0.92 | TXNRD1 (0.39) | PDK1KMT2AATMVCAM1ALDH1A1 | |
| SCHEMBL8539439 | 0.91 | TXNRD1 (0.44) | PDK1VCAM1THRBGSRTXNRD1 | |
| SCHEMBL8542821 | 0.90 | TXNRD1 (0.46) | VCAM1THRBGSRTXNRD1 | |
| SCHEMBL8543074 | 0.87 | ALDH1A1 (0.38) | KMT2AATMVCAM1ALDH1A1MEN1 | |
| SCHEMBL8544973 | 0.83 | PDK1 (0.37) | PDK1KMT2AATMVCAM1ALDH1A1 | |
| SCHEMBL6937498 | 0.82 | SLC9A1 (0.43) | — | |
| SCHEMBL8540482 | 0.82 | PDK1 (0.39) | PDK1VCAM1ALDH1A1TXNRD1POLB | |
| SCHEMBL27358004 | 0.81 | PDK1 (0.39) | PDK1KMT2AATMVCAM1ALDH1A1 | |
| SCHEMBL8539432 | 0.80 | PDK1 (0.36) | PDK1VCAM1ALDH1A1 | |
| SCHEMBL8542635 | 0.80 | TXNRD1 (0.36) | PDK1VCAM1ALDH1A1THRBGSR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744641-A | Sulfonyl- or sulfinylbenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-04-28 | — | — | US | disclosed |