Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10169211 | 0.79 | GPR3 (0.57) | GPR3ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL3277254 | 0.77 | ADORA2A (0.44) | ALDH1A1HSD17B10HTTRXFP1KDM4E | |
| SCHEMBL19698919 | 0.74 | ADORA2A (0.44) | ADORA2AADORA1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL14629321 | 0.73 | KDM4E (0.39) | ALDH1A1HSD17B10HPGDHTTRXFP1 | |
| SCHEMBL13169634 | 0.71 | GPR3 (0.50) | GPR3ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL3547188 | 0.71 | ADORA2A (0.45) | HTTMAPTADORA2AADORA1SMN1; SMN2 | |
| SCHEMBL85621 | 0.70 | GPR3 (1.00) | GPR3ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL61008 | 0.69 | ADORA2A (0.49) | HTTADORA2AADORA1SMN1; SMN2RAB9A | |
| SCHEMBL29865573 | 0.69 | GPR3 (0.54) | GPR3ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL3277153 | 0.69 | KDM4E (0.53) | GPR3ALDH1A1HSD17B10HPGDCYP1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1724267-B1 | PYRIMIDINE DERIVATIVE | ASKA PHARM CO LTD (JP) | 2013-11-06 | — | — | EP | disclosed |
| US-7799775-B2 | such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome | ASKA PHARMACEUTICAL CO., LTD. (JP) | 2010-09-21 | — | — | US | disclosed |
| US-7799775-B2 | such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome | ASKA PHARMACEUTICAL CO., LTD. (JP) | 2010-09-21 | — | — | US | disclosed |
| US-7696221-B2 | Thienoisoquinoline-phenylsulfonamides and their use as ER-NFκB inhibitors | WYETH LLC (US) | 2010-04-13 | — | — | US | disclosed |
| US-20070197551-A1 | Pyrimidine derivatives | ASKA PHARMACEUTICAL CO., LTD. (JP) | 2007-08-23 | — | — | US | disclosed |
| US-20070197551-A1 | Pyrimidine derivatives | ASKA PHARMACEUTICAL CO., LTD. (JP) | 2007-08-23 | — | — | US | disclosed |
| US-20060154875-A1 | Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors | WYETH (US) | 2006-07-13 | — | — | US | disclosed |
| WO-2006069182-A2 | THIENOISOQUINOLINE-PHENYLSULFONAMIDES AND THEIR USE AS ER-NFkB INHIBITORS | WYETH (US) | 2006-06-29 | — | — | 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 (2 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-20070197551-A1 | Pyrimidine derivatives | HTR3B, HTR3A, HTR1A | GPR3 26/4885ALDH1A1 2838/4885HSD17B10 3600/4885 |
| US-20060154875-A1 | Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors | NFKBIA, IKBKB, IKBKE | GPR3 962/4885ALDH1A1 4072/4885HSD17B10 3233/4885 |
“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.