Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | NT5E | P21589 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 2/20 | 0.37 |
| ▸ | F2 | P00734 | 2/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.36 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Aniline SCHEMBL11683907 | 0.84 | CYP2D6 (0.54) | ALDH1A1TSHRHSD17B10TDP1NT5E | |
| SCHEMBL11682158 | 0.82 | TSHR (0.46) | ALDH1A1TSHRHSD17B10TDP1NT5E | |
| 3-Chloroaniline SCHEMBL11687359 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1NT5E | |
| 3-Chloroaniline SCHEMBL11682537 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TSHRHSD17B10TDP1POLB | |
| 3-Chloroaniline SCHEMBL11686685 | 0.78 | SMN1; SMN2 (0.39) | ALDH1A1TSHRHSD17B10TDP1POLB | |
| 3-Chloroaniline SCHEMBL11684018 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10TDP1CCR2 | |
| 3-Chloroaniline SCHEMBL11482907 | 0.75 | ALDH1A1 (0.77) | ALDH1A1TSHRHSD17B10TDP1F2 | |
| Aniline SCHEMBL11682873 | 0.74 | TSHR (0.56) | ALDH1A1TSHRHSD17B10TDP1NT5E | |
| SCHEMBL11684625 | 0.74 | SENP3 (0.43) | ALDH1A1TSHRHSD17B10TDP1SUMO2 | |
| O-Tolylamine SCHEMBL11687186 | 0.73 | CYP2D6 (0.45) | ALDH1A1TSHRHSD17B10TDP1NT5E |
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 |
|---|---|---|---|---|---|---|---|
| US-4055557-A | MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |