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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3294256 | 0.85 | ENPP2 (0.42) | IKBKBENPP2ALDH1A1TSHRPRSS1 | |
| Benzyl Alcohol SCHEMBL1875625 | 0.84 | TSHR (0.67) | ALDH1A1TSHRPRSS1PRSS2PRSS3 | |
| SCHEMBL123838 | 0.83 | TSHR (0.61) | ENPP2TSHRPRSS1PRSS2PRSS3 | |
| SCHEMBL646928 | 0.81 | ALDH1A1 (0.50) | IKBKBENPP2ALDH1A1PRSS1PRSS2 | |
| SCHEMBL3560306 | 0.81 | IKBKB (0.58) | IKBKBALDH1A1PDK1PDK2PDK3 | |
| SCHEMBL8062129 | 0.80 | CA1 (0.56) | ALDH1A1TSHRPRSS1PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL14334287 | 0.80 | ENPP2 (0.58) | ENPP2TSHRPRSS1PRSS2PRSS3 | |
| SCHEMBL10586812 | 0.78 | TSHR (0.53) | IKBKBENPP2ALDH1A1TSHRPRSS1 | |
| SCHEMBL23665698 | 0.78 | ENPP2 (0.44) | IKBKBENPP2ALDH1A1TSHRPRSS1 | |
| SCHEMBL31701736 | 0.78 | ENPP2 (0.44) | IKBKBENPP2ALDH1A1TSHRPRSS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6013407-A | PHOTORESISTS WITH PHENOLIC RESINS, QUINONEDIAZIDE SULFONATES, PHOTOSENSITIVE AGENTS AND PHENOLIC COMPOUNDS | NIPPON ZEON CO., LTD. (JP) | 2000-01-11 | — | — | US | disclosed |
| EP-0831370-A1 | POSITIVE RESIST COMPOSITION | NIPPON ZEON CO., LTD. (JP) | 1998-03-25 | — | — | EP | disclosed |