Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 11/20 | 0.43 |
| ▸ | MMP2 | P08253 | 6/20 | 0.43 |
| ▸ | MMP3 | P08254 | 6/20 | 0.43 |
| ▸ | MMP9 | P14780 | 6/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9676170 | 0.96 | ALDH1A1 (0.48) | ALDH1A1PKMLMNAGAATDP1 | |
| SCHEMBL9874441 | 0.91 | ALDH1A1 (0.52) | ALDH1A1PKMLMNAGAATDP1 | |
| SCHEMBL9374273 | 0.87 | ALDH1A1 (0.62) | ALDH1A1PKMLMNAGAATDP1 | |
| SCHEMBL9879768 | 0.84 | ALDH1A1 (0.40) | ALDH1A1PKMLMNAGAATDP1 | |
| SCHEMBL9675892 | 0.82 | ALDH1A1 (0.56) | ALDH1A1PKMLMNAGAATDP1 | |
| SCHEMBL10465973 | 0.82 | ALDH1A1 (0.52) | ALDH1A1PKMLMNAGAATDP1 | |
| SCHEMBL10408025 | 0.78 | ALDH1A1 (0.46) | ALDH1A1PKMLMNAGAATDP1 | |
| SCHEMBL9729935 | 0.77 | MMP13 (0.66) | ALDH1A1MMP13MMP2MMP3MMP9 | |
| SCHEMBL1170566 | 0.76 | TDP1 (0.70) | ALDH1A1PKMLMNAGAATDP1 | |
| SCHEMBL19813836 | 0.76 | TDP1 (0.70) | ALDH1A1PKMLMNAGAATDP1 |
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-4895942-A | Novel epoxy compounds | SHELL OIL COMPANY (US) | 1990-01-23 | — | — | US | disclosed |
| US-4889907-A | Polymeric polyhyroxy polyether containing 1,6-diazaspiro-[4.4]nonane-2,7-dione units | SHELL OIL COMPANY (US) | 1989-12-26 | — | — | US | disclosed |