Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.80 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.68 |
| ▸ | POLB | P06746 | 2/20 | 0.66 |
| ▸ | MEN1 | O00255 | 6/20 | 0.61 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | PTGES | O14684 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3447906 | 0.89 | PTGS2 (1.00) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL3506277 | 0.87 | KMT2A (0.74) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL28358360 | 0.86 | PTGS2 (0.94) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL20726104 | 0.86 | POLB (0.75) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL11260604 | 0.85 | PTGS2 (0.80) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL11243639 | 0.85 | POLB (0.89) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL11258735 | 0.85 | PTGS2 (0.86) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL3508710 | 0.85 | PTGS2 (0.58) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL19652416 | 0.83 | PTGS2 (0.76) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL12670651 | 0.82 | PTGS2 (0.74) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8263624-B2 | Aryl-substituted heterocycles, and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-09-11 | — | — | US | disclosed |
| US-8263624-B2 | Aryl-substituted heterocycles, and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-09-11 | — | — | US | disclosed |
| US-8263624-B2 | Aryl-substituted heterocycles, and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-09-11 | — | — | US | disclosed |
| US-20110015241-A1 | SUBSTITUTED HETEROCYCLES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-20 | — | — | US | disclosed |
| US-20110015241-A1 | SUBSTITUTED HETEROCYCLES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-20 | — | — | US | disclosed |
| US-20110015241-A1 | SUBSTITUTED HETEROCYCLES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-20 | — | — | US | disclosed |
| EP-2029546-B1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | BAYER SCHERING PHARMA AG (DE) | 2010-07-28 | — | — | EP | disclosed |
| US-20100029651-A1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | BAYER HEALTHCARE AG | 2010-02-04 | — | — | US | disclosed |
| US-20100029651-A1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | BAYER HEALTHCARE AG | 2010-02-04 | — | — | US | disclosed |
| US-20100029651-A1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | BAYER HEALTHCARE AG | 2010-02-04 | — | — | US | disclosed |
| WO-2007137791-A1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | BAYER HEALTHCARE AG (DE) | 2007-12-06 | — | — | WO | disclosed |
| WO-2007137792-A1 | SUBSTITUTED HETEROCYCLES AND USE THEREOF | BAYER HEALTHCARE AG (DE) | 2007-12-06 | — | — | 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-20110015241-A1 | SUBSTITUTED HETEROCYCLES AND USE THEREOF | F2, VKORC1, HMBS | PTGS2 300/4885KMT2A 2803/4885ALDH1A1 529/4885 |
| US-20100029651-A1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | AHR, CYP2C19, PAH | PTGS2 878/4885KMT2A 1877/4885ALDH1A1 318/4885 |
“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.