Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | GSTO1 | P78417 | 5/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8574036 | 0.86 | ALDH1A1 (0.51) | ALDH1A1KMT2AMEN1MCL1CA12 | |
| SCHEMBL8576788 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1HTTGSTO1 | |
| SCHEMBL8576784 | 0.82 | CA12 (0.46) | ALDH1A1KMT2AMEN1CA12CA1 | |
| SCHEMBL11167601 | 0.82 | CA12 (0.62) | ALDH1A1KMT2AMEN1MCL1CA12 | |
| SCHEMBL8572624 | 0.81 | CISD1 (0.66) | ALDH1A1CA12CA1CA2CA3 | |
| SCHEMBL8577577 | 0.77 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1MCL1CA12 | |
| SCHEMBL10401634 | 0.76 | MRGPRX4 (0.44) | ALDH1A1KMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL8603912 | 0.75 | CA12 (0.49) | ALDH1A1KMT2AMEN1CA12CA1 | |
| SCHEMBL8574246 | 0.73 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1MCL1CA12 | |
| SCHEMBL11762590 | 0.72 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1MCL1CA12 |
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-5849796-A | Ortho-substituted benzoil acid derivatives | MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-15 | — | — | US | disclosed |