Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.60 |
| ▸ | UTS2R | Q9UKP6 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | SNCA | P37840 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11850698 | 0.88 | TSHR (0.59) | TSHRUTS2RMAPTTP53APP | |
| SCHEMBL11849088 | 0.84 | TSHR (0.71) | TSHRMAPTTP53GAAGFER | |
| Hydrochloric Acid SCHEMBL11851095 | 0.80 | TSHR (0.73) | TSHRMAPTTP53APPSNCA | |
| SCHEMBL11800639 | 0.80 | RXFP1 (0.48) | TSHRUTS2RMAPTTP53RXFP1 | |
| SCHEMBL11849441 | 0.78 | TSHR (0.58) | TSHRTP53GAAGFERLMNA | |
| SCHEMBL11845463 | 0.78 | TSHR (0.57) | TSHRUTS2RABCB1TP53APP | |
| SCHEMBL11852481 | 0.77 | TSHR (0.56) | TSHRMAPTGAAGFERLMNA | |
| SCHEMBL2493279 | 0.77 | TSHR (0.83) | TSHRMAPTTP53GAAGFER | |
| SCHEMBL11876237 | 0.77 | MAPT (0.45) | TSHRUTS2RMAPTABCB1ABCG2 | |
| SCHEMBL11855278 | 0.77 | TSHR (0.75) | TSHRTP53GAAGFERPTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-3969506-A | BRONCHODILATOR | SANDOZ, INC. (US) | 1976-07-13 | — | — | US | disclosed |