Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11685478 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TSHRTDP1HSD17B10CYP3A4 | |
| 3-Chloroaniline SCHEMBL11687359 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TSHRTDP1HSD17B10PKM | |
| O-Tolylamine SCHEMBL11682944 | 0.81 | PHLPP2 (0.38) | ALDH1A1TSHRTDP1HSD17B10CYP1A2 | |
| Aniline SCHEMBL11685584 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1HSD17B10PHLPP2 | |
| SCHEMBL11682956 | 0.78 | PTGS1 (0.39) | ALDH1A1TSHRTDP1HSD17B10CYP2C19 | |
| 3-Chloroaniline SCHEMBL11685285 | 0.78 | ALDH1A1 (0.49) | ALDH1A1TSHRTDP1HSD17B10MEN1 | |
| 3-Chloroaniline SCHEMBL11686685 | 0.77 | SMN1; SMN2 (0.39) | ALDH1A1TSHRTDP1HSD17B10CYP2C19 | |
| SCHEMBL11681974 | 0.76 | CYP2C9 (0.41) | ALDH1A1TSHRHSD17B10PKMMEN1 | |
| Aniline SCHEMBL11683885 | 0.72 | ALDH1A1 (0.44) | ALDH1A1TSHRTDP1HSD17B10PHLPP2 | |
| SCHEMBL11682328 | 0.70 | TP53 (0.44) | ALDH1A1TSHRTDP1HSD17B10CYP2C19 |
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 |