Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 2/20 | 0.35 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27553082 | 0.80 | CA1 (0.38) | SMN1; SMN2CA2CA14CA12CA7 | |
| SCHEMBL2823198 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TDP1CA2KMT2A | |
| SCHEMBL1923143 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TDP1SMN1; SMN2CA2CA1 | |
| SCHEMBL114574 | 0.78 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2CA2CA14CA12 | |
| SCHEMBL13437368 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TDP1SMN1; SMN2CA2CA14 | |
| SCHEMBL11459051 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TDP1SMN1; SMN2CA2CA14 | |
| SCHEMBL1663158 | 0.76 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2CA2CA14CA12 | |
| Water SCHEMBL28808045 | 0.76 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2CA2CA14CA12 | |
| SCHEMBL28341112 | 0.76 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2CA2CA14CA12 | |
| SCHEMBL5143415 | 0.76 | MGAM (0.44) | ALDH1A1SMN1; SMN2CA2CA14CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112661751-B | Heterocyclic compounds as BCL-2 inhibitors | 南京天印健华医药科技有限公司 | 2024-06-14 | — | — | CN | disclosed |
| WO-2016169041-A1 | BIOLOGICAL TISSUE-REINFORCING MATERIAL | GUNZE LIMITED (JP) | 2016-10-27 | — | — | WO | disclosed |
| CN-1304399-A | Process for preparation of amides | IHARA CHEMICAL IND CO (JP) | 2001-07-18 | — | — | CN | disclosed |