Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7714301 | 0.91 | PAOX (0.50) | PAOXTDP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7719123 | 0.83 | CHRM2 (0.43) | TDP1KDM4EALDH1A1SMN1; SMN2DNM1 | |
| SCHEMBL7718808 | 0.82 | CA12 (0.44) | TDP1KDM4EALDH1A1SMN1; SMN2DNM1 | |
| SCHEMBL5932323 | 0.80 | TDP1 (0.46) | PAOXTDP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7719485 | 0.79 | DNM1 (0.40) | TDP1KDM4EALDH1A1DNM1MEN1 | |
| SCHEMBL31330183 | 0.78 | KDM4E (0.45) | KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL5932834 | 0.76 | CYP2C9 (0.42) | PAOXTDP1KDM4EALDH1A1CYP2C9 | |
| SCHEMBL236609 | 0.75 | TDP1 (0.44) | PAOXTDP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7714294 | 0.74 | CA12 (0.41) | KDM4EALDH1A1DNM1MEN1KMT2A | |
| SCHEMBL3923298 | 0.74 | TDP1 (0.42) | PAOXTDP1KDM4EALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380274-B1 | REACTING AN ORGANIC POLYISOCYANATE WITH A COMPOUND HAVING A REACTIVE HYDROGEN IN THE PRESENCE OF ALKOXY AMIDE COMPOUND AS CATALYST TO PRODUCE POLYURETHANE | AIR PRODUCTS AND CHEMICALS, INC. | 2002-04-30 | — | — | US | disclosed |
| US-6313346-B1 | Catalyst compositions for the production of polyurethanes | AIR PRODUCTS AND CHEMICALS, INC. | 2001-11-06 | — | — | US | disclosed |