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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD5 known ✓ | P21918 | 5/20 | 0.69 |
| ▸ | DRD1 known ✓ | P21728 | 4/20 | 0.69 |
| ▸ | DRD3 known ✓ | P35462 | 3/20 | 0.69 |
| ▸ | ADRA2B known ✓ | P18089 | 3/20 | 0.69 |
| ▸ | ADRA1B known ✓ | P35368 | 3/20 | 0.69 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.69 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.69 |
| ▸ | AGTR1 known ✓ | P30556 | 2/20 | 0.69 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.69 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.69 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.69 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.69 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.69 |
| ▸ | SLC18A2 known ✓ | Q05940 | 1/20 | 0.69 |
| ▸ | HTR1B known ✓ | P28222 | 2/20 | 0.68 |
| ▸ | HTR1D known ✓ | P28221 | 2/20 | 0.68 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.68 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.65 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.54 |
| ▸ | P2RY14 | Q15391 | 17/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL2935177 | 0.96 | P2RY14 (0.75) | P2RY14TMEM97DRD5SIGMAR1ADRB3 | |
| SCHEMBL30608300 | 0.91 | P2RY14 (0.76) | P2RY14TMEM97DRD5SIGMAR1ADRB3 | |
| SCHEMBL2934980 | 0.88 | P2RY14 (0.74) | P2RY14TMEM97DRD5SIGMAR1ADRB3 | |
| Pptn SCHEMBL2934979 | 0.88 | P2RY14 (0.89) | P2RY14TMEM97DRD5SIGMAR1ADRB3 | |
| SCHEMBL22996061 | 0.88 | P2RY14 (0.79) | P2RY14TMEM97DRD5SIGMAR1ADRB3 | |
| SCHEMBL27214142 | 0.87 | P2RY14 (0.74) | P2RY14TMEM97DRD5SIGMAR1ADRB3 | |
| SCHEMBL2932405 | 0.87 | TMEM97 (0.65) | P2RY14TMEM97DRD5SIGMAR1ADRB3 | |
| SCHEMBL13057718 | 0.87 | TMEM97 (0.79) | P2RY14TMEM97DRD5SIGMAR1ADRB3 | |
| SCHEMBL29691789 | 0.87 | P2RY14 (0.78) | P2RY14TMEM97DRD5SIGMAR1ADRB3 | |
| SCHEMBL21247893 | 0.85 | P2RY14 (0.77) | P2RY14TMEM97DRD5SIGMAR1ADRB3 |
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-20100298347-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD (CA) | 2010-11-25 | — | — | US | disclosed |
| EP-2229373-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | Merck Frosst Canada Ltd. (CA) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009070873-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD. (CA) | 2009-06-11 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100298347-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | GPR119, GPR52, GPR35 | DRD5 1185/4885DRD1 3386/4885DRD3 3705/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.