Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | VCAM1 | P19320 | 6/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.46 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.46 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Dinitrochlorobenzene SCHEMBL39251 | 0.88 | HSD17B10 (0.69) | TSHRMAPK1HSD17B10ALDH1A1HIF1A | |
| Dinitrochlorobenzene SCHEMBL20472381 | 0.88 | HSD17B10 (0.69) | TSHRMAPK1HSD17B10ALDH1A1HIF1A | |
| Dinitrochlorobenzene SCHEMBL29349476 | 0.88 | HSD17B10 (0.69) | TSHRMAPK1HSD17B10ALDH1A1HIF1A | |
| Dinitrochlorobenzene SCHEMBL28203845 | 0.86 | HSD17B10 (0.67) | TSHRMAPK1HSD17B10ALDH1A1HIF1A | |
| SCHEMBL29394047 | 0.86 | MAPK1 (0.69) | TSHRMAPK1ALDH1A1TDP1VCAM1 | |
| SCHEMBL358730 | 0.86 | MAPK1 (0.69) | TSHRMAPK1ALDH1A1TDP1VCAM1 | |
| Dinitrochlorobenzene SCHEMBL28156595 | 0.84 | HSD17B10 (0.64) | TSHRMAPK1HSD17B10ALDH1A1HIF1A | |
| Dinitrochlorobenzene SCHEMBL27749176 | 0.84 | HSD17B10 (0.64) | TSHRMAPK1HSD17B10ALDH1A1HIF1A | |
| Ammonia Solution, Strong SCHEMBL28805237 | 0.84 | MAPK1 (0.67) | TSHRMAPK1ALDH1A1TDP1VCAM1 | |
| SCHEMBL1524058 | 0.84 | MAPK1 (0.72) | TSHRMAPK1ALDH1A1TDP1VCAM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0700287-A1 | ARYLATING MEDICAMENTS | RADOPATH LIMITED (GB) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027584-A2 | ARYLATING MEDICAMENTS | RADOPATH LIMITED (GB) | 1994-12-08 | — | — | WO | disclosed |