Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | FABP7 | O15540 | 1/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1573308 | 0.87 | TDP1 (0.38) | GPR35TDP1TSHRL3MBTL1CHRNB2 | |
| SCHEMBL12355682 | 0.78 | CHRNB2 (0.37) | GPR35TDP1TSHRCHRNB2CHRNA4 | |
| SCHEMBL1080845 | 0.78 | TDP1 (0.44) | GPR35TDP1TSHRL3MBTL1AKR1C3 | |
| SCHEMBL14017372 | 0.78 | TDP1 (0.44) | GPR35TDP1TSHRL3MBTL1AKR1C3 | |
| Hydrochloric Acid SCHEMBL7214642 | 0.77 | TDP1 (0.43) | GPR35TDP1TSHRL3MBTL1AKR1C3 | |
| Hydrochloric Acid SCHEMBL7214648 | 0.77 | TDP1 (0.43) | GPR35TDP1TSHRL3MBTL1AKR1C3 | |
| SCHEMBL5916971 | 0.75 | GPR35 (0.46) | GPR35TDP1TSHRCHRNB2CHRNA4 | |
| SCHEMBL1081511 | 0.74 | FABP7 (0.56) | ACHEFABP7FABP5MEN1KMT2A | |
| SCHEMBL7517485 | 0.74 | TDP1 (0.41) | GPR35TDP1TSHRL3MBTL1CHRNB2 | |
| SCHEMBL7214637 | 0.74 | CHRNB2 (0.41) | GPR35TDP1TSHRL3MBTL1AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |
| EP-2268625-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009127338-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-10-22 | — | — | WO | disclosed |