Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12449198 | 0.78 | TSHR (0.46) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL11422464 | 0.78 | TSHR (0.46) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL28903338 | 0.78 | LMNA (0.39) | TSHRCHRM2CHRM4CHRM1ALDH1A1 | |
| SCHEMBL4148562 | 0.78 | TSHR (0.46) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL13396864 | 0.78 | TSHR (0.46) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL13853137 | 0.76 | TSHR (0.44) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL14085141 | 0.76 | KLK7 (0.39) | KLK7 | |
| SCHEMBL13527469 | 0.76 | TSHR (0.44) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL12569905 | 0.76 | TSHR (0.44) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL18288669 | 0.76 | HCAR2 (0.45) | ALDH1A1SMN1; SMN2MAPTKLK7TDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150352108-A1 | AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON | ALZHEIMER'S INSTITUTE OF AMERICA (US) | 2015-12-10 | — | — | US | disclosed |
| US-20100105683-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | KEEGAN KATHLEEN S | 2010-04-29 | — | — | US | disclosed |
| US-20090312540-A1 | SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES | MNK 2011 LLC (F/K/A MALLINCKRODT INC.) | 2009-12-17 | — | — | US | disclosed |
| US-7608618-B2 | Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 | ICOS CORPORATION (US) | 2009-10-27 | — | — | US | disclosed |
| US-7550431-B2 | Spatially-defined macrocycles incorporating peptide bond surrogates | TRANZYME PHARMA INC. (CA) | 2009-06-23 | — | — | US | disclosed |
| US-7544703-B2 | Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2009-06-09 | — | — | US | disclosed |
| US-7544703-B2 | Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2009-06-09 | — | — | US | disclosed |
| US-20070149574-A1 | Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2007-06-28 | — | — | US | disclosed |
| US-20070149574-A1 | Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2007-06-28 | — | — | US | 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 (4 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-20090312540-A1 | SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES | MLNR, GIPR, GRPR | TSHR 75/4885CHRM2 3224/4885CHRM4 1446/4885 |
| US-20100105683-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | CHEK1, PCNA, CHEK2 | TSHR 4083/4885CHRM2 4366/4885CHRM4 4411/4885 |
| US-20150352108-A1 | AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON | TBK1, NFKBIA, CHUK | TSHR 4513/4885CHRM2 4069/4885CHRM4 4141/4885 |
| US-20070149574-A1 | Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein | FLT4, FLT1, TIE1 | TSHR 203/4885CHRM2 299/4885CHRM4 395/4885 |
“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.