Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.41 |
| ▸ | HTR5A | P47898 | 5/20 | 0.37 |
| ▸ | NOS3 | P29474 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | TDP2 | O95551 | 2/20 | 0.34 |
| ▸ | NSD2 | O96028 | 2/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31703946 | 1.00 | TSHR (0.48) | TSHRADRA2AADRA2BADRA2CHTR5A | |
| SCHEMBL577689 | 0.67 | TDP1 (0.42) | TSHRTDP2NSD2PAX8ABL1 | |
| SCHEMBL4095527 | 0.67 | HRH1 (0.49) | ADRA2AADRA2BADRA2CTDP2NSD2 | |
| SCHEMBL1194687 | 0.67 | TSHR (0.95) | TSHRADRA2AADRA2BADRA2CHTR5A | |
| SCHEMBL31703623 | 0.67 | TSHR (0.95) | TSHRADRA2AADRA2BADRA2CHTR5A | |
| SCHEMBL5242604 | 0.67 | HSP90AA1 (0.39) | ADRA2AADRA2BADRA2CNOS3NOS2 | |
| SCHEMBL7633795 | 0.67 | TSHR (0.48) | TSHRNOS3NOS2TDP2NSD2 | |
| SCHEMBL1730521 | 0.65 | TSHR (0.38) | TSHRHTR5ANOS3NOS2NSD2 | |
| Hydrochloric Acid SCHEMBL4092945 | 0.65 | TSHR (1.00) | TSHRADRA2AADRA2BADRA2CHTR5A | |
| Hydrochloric Acid SCHEMBL29386664 | 0.65 | TSHR (1.00) | TSHRADRA2AADRA2BADRA2CHTR5A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010056194-A1 | 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | WO | claimed |
| WO-2010056194-A1 | 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | WO | disclosed |