Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDFT1 | P37268 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28949869 | 0.87 | EPHX1 (0.43) | ALDH1A1KMT2AHTTMEN1GAA | |
| SCHEMBL28056844 | 0.85 | LMNA (0.45) | ALDH1A1TDP1SMN1; SMN2KMT2ALMNA | |
| SCHEMBL28056837 | 0.84 | ABL1 (0.40) | KMT2ALMNAMEN1GAA | |
| SCHEMBL28056726 | 0.82 | NPC1 (0.41) | KMT2ALMNARAB9ANPC1MEN1 | |
| SCHEMBL28056784 | 0.81 | PARP10 (0.46) | ALDH1A1TDP1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL10922111 | 0.75 | QDPR (0.40) | ALDH1A1 | |
| SCHEMBL28166840 | 0.72 | PDE4B (0.32) | SMN1; SMN2CA12CA1CA2CA7 | |
| SCHEMBL3033970 | 0.70 | FDFT1 (0.55) | FDFT1ALDH1A1TDP1SMN1; SMN2HTT | |
| SCHEMBL3040729 | 0.69 | FDFT1 (0.53) | FDFT1ALDH1A1TDP1SMN1; SMN2KMT2A | |
| SCHEMBL28056773 | 0.69 | MEN1 (0.72) | ALDH1A1KMT2AHTTLMNARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-103732589-B | Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor | BRISTOL-MYERS SQUIBB CO. (US) | 2016-03-30 | — | — | CN | disclosed |