Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13623245 | 0.83 | KAT2B (0.34) | HDAC3HDAC8HDAC1HDAC2HDAC6 | |
| SCHEMBL13458374 | 0.80 | APEX1 (0.35) | — | |
| SCHEMBL16097145 | 0.79 | TAAR1 (0.46) | IDO1 | |
| SCHEMBL13855830 | 0.79 | TSHR (0.38) | IDO1HDAC3HDAC8HDAC1HDAC2 | |
| SCHEMBL13587367 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL21527949 | 0.77 | ALDH1A1 (0.32) | HDAC3HDAC8HDAC1HDAC2HDAC6 | |
| SCHEMBL13590556 | 0.77 | HDAC3 (0.40) | IDO1HDAC3HDAC8HDAC1HDAC2 | |
| SCHEMBL15574020 | 0.76 | GRIN2D (0.34) | HDAC3HDAC8HDAC1HDAC2HDAC6 | |
| SCHEMBL21711984 | 0.76 | NOTUM (0.46) | HDAC3HDAC8HDAC1HDAC2HDAC6 | |
| SCHEMBL13615362 | 0.74 | IDO1 (0.33) | IDO1HDAC3HDAC8HDAC1HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118852129-A | Preparation method and application of triazole feed additive with anti-inflammatory activity designed based on deep learning technology | 河南湾流生物科技有限公司 | 2024-10-29 | — | — | CN | disclosed |
| CN-113149965-B | Erlotinib derivative and application thereof in preparation of IDO1 activity inhibition drugs and antitumor drugs | 南方医科大学 | 2022-09-27 | — | — | CN | disclosed |