Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL18893267 | 0.85 | ALDH1A1 (0.60) | ACACBCA12CA9HPGDNPSR1 | |
| SCHEMBL5909057 | 0.81 | CA12 (0.58) | ACACBCA12CA9HPGDMEN1 | |
| SCHEMBL5250718 | 0.79 | OPRD1 (0.49) | ACACBCA12CA9HPGDNPSR1 | |
| SCHEMBL13753745 | 0.78 | HDAC3 (0.55) | ACACBCA12CA9HPGDMEN1 | |
| SCHEMBL10261106 | 0.78 | CA12 (0.49) | ACACBCA12CA9HPGDMEN1 | |
| SCHEMBL20086467 | 0.78 | NPSR1 (0.58) | HPGDNPSR1MEN1KMT2ALMNA | |
| SCHEMBL14830545 | 0.77 | ALDH1A1 (0.50) | HPGDNPSR1MEN1KMT2ALMNA | |
| SCHEMBL104304 | 0.77 | RAB9A (0.61) | ACACBCA12CA9HPGDNPSR1 | |
| SCHEMBL10294118 | 0.75 | CA12 (0.46) | CA12CA9HPGDMEN1KMT2A | |
| SCHEMBL12368426 | 0.75 | ALDH1A1 (0.65) | CA12CA9HPGDMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018075842-A1 | CONDENSED BENZODIAZEPINE DERIVATIVES AND CONJUGATES MADE THEREFROM | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-04-26 | — | — | WO | disclosed |