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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| Tert-Butylamine SCHEMBL17746599 | 0.83 | CA2 (0.41) | CA2CA1TSHRNT5ECA4 | |
| SCHEMBL11140853 | 0.82 | LMNA (0.33) | CA2CA1TSHRNT5ECA4 | |
| SCHEMBL108465 | 0.79 | — | — | |
| Sulfuric Acid SCHEMBL2127329 | 0.76 | CA5A (0.46) | CA2CA1TSHRNT5ECA4 | |
| Sulfuric Acid SCHEMBL28411525 | 0.76 | CA5A (0.46) | CA2CA1TSHRNT5ECA4 | |
| Water SCHEMBL6339225 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1370407 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL27543557 | 0.75 | CA2 (0.30) | CA2 | |
| SCHEMBL1263887 | 0.73 | — | — | |
| SCHEMBL6931812 | 0.73 | CA2 (0.39) | CA2CA1TSHRNT5ECA4 |
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-4368287-A | POLYESTER CONTAINING AMINO-SULFONIC AMPHOIONIC GROUP | NIPPON PAINT CO., LTD. (JP) | 1983-01-11 | — | — | US | disclosed |
| US-4328143-A | Aqueous coating composition | NIPPON PAINT COMPANY, LTD. (JP) | 1982-05-04 | — | — | US | disclosed |
| US-4322324-A | Ampho-ionic group-containing alkyd resins | NIPPON PAINT CO., LTD. (JP) | 1982-03-30 | — | — | US | disclosed |