Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.38 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.38 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.38 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1995565 | 0.79 | TDP1 (0.47) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL9694041 | 0.79 | TDP1 (0.47) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL4520380 | 0.78 | TDP1 (0.45) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL28303063 | 0.78 | ALDH1A1 (0.46) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL10338398 | 0.78 | TSHR (0.58) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL4728834 | 0.78 | HPGD (0.46) | TDP1GPR35ALDH1A1TSHRP2RY6 | |
| SCHEMBL16953540 | 0.78 | TDP1 (0.45) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL11375306 | 0.78 | GPR35 (0.56) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL27733344 | 0.76 | ALDH1A1 (0.45) | TDP1GPR35ALDH1A1TSHRHSD17B10 | |
| SCHEMBL10768517 | 0.75 | ERN1 (0.57) | TDP1GPR35ALDH1A1TSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |