Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.43 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3972018 | 0.80 | TSHR (0.48) | TSHRIMPDH2IMPDH1NCOA3L3MBTL1 | |
| SCHEMBL27882612 | 0.78 | TSHR (0.47) | TSHRIMPDH2IMPDH1NCOA3HTT | |
| Hydrochloric Acid SCHEMBL7700516 | 0.77 | TSHR (0.45) | TSHRIMPDH2IMPDH1NCOA3HTT | |
| SCHEMBL9005153 | 0.77 | MAOA (0.49) | TSHRIMPDH2IMPDH1NCOA3MAOA | |
| SCHEMBL20669532 | 0.76 | CYP1A2 (0.50) | TSHRHTTCA1CA2CYP1A2 | |
| SCHEMBL7813270 | 0.75 | TSHR (0.46) | TSHRIMPDH2IMPDH1NCOA3DYRK1A | |
| SCHEMBL7531782 | 0.74 | ALDH1A1 (0.44) | TSHRHTTCA1CA2CYP1A2 | |
| SCHEMBL854444 | 0.72 | CYP1A2 (0.59) | TSHRIMPDH2IMPDH1ARCYP1A2 | |
| SCHEMBL23463055 | 0.72 | IMPDH2 (0.40) | TSHRIMPDH2IMPDH1NCOA3HTT | |
| Hydrochloric Acid SCHEMBL8726070 | 0.71 | CYP1A2 (0.56) | TSHRIMPDH2IMPDH1ARCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4122256-A | OPTICAL BRIGHTENERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-10-24 | — | — | US | disclosed |
| US-4052433-A | INTERMEDIATES FOR BENZOFURANS | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-10-04 | — | — | US | disclosed |
| US-3994879-A | CONDENSING AZOMETHINES, OPTICAL BRIGHTENERS | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-11-30 | — | — | US | disclosed |