Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PDCD1LG2 | Q9BQ51 | 2/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30898063 | 0.92 | KDM1A (0.44) | TSHRKDM1AMAOBRCOR1ALDH1A1 | |
| SCHEMBL30898026 | 0.92 | TSHR (0.42) | TSHRKDM1AMAOBRCOR1ALDH1A1 | |
| SCHEMBL30898078 | 0.91 | TSHR (0.37) | TSHRKDM1AMAOBRCOR1ALDH1A1 | |
| SCHEMBL30898029 | 0.87 | CYP1A2 (0.41) | TSHRKDM1AMAOBRCOR1ALDH1A1 | |
| SCHEMBL30898092 | 0.85 | CYP2D6 (0.35) | TSHRCYP2D6TNF | |
| SCHEMBL30898035 | 0.82 | HCAR2 (0.36) | TNF | |
| SCHEMBL31335868 | 0.75 | HCAR2 (0.35) | CYP2D6TNF | |
| SCHEMBL2463453 | 0.72 | TSHR (0.61) | TSHRKDM1AMAOBRCOR1ALDH1A1 | |
| SCHEMBL30335554 | 0.72 | CYP2C9 (0.50) | TSHRALDH1A1CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL19992731 | 0.70 | TSHR (0.58) | TSHRKDM1AMAOBRCOR1ALDH1A1 |
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-2024083086-A1 | BICYCLIC DERIVATIVE INTEGRIN INHIBITOR | 上海如凌生物医药有限公司 | 2024-04-25 | — | — | WO | disclosed |