Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 5/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 4/20 | 0.39 |
| ▸ | MMP3 | P08254 | 4/20 | 0.39 |
| ▸ | MMP9 | P14780 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL9375911 | 0.77 | MMP13 (0.43) | MMP13ALDH1A1POLBCA12CA9 | |
| SCHEMBL9676170 | 0.75 | ALDH1A1 (0.48) | MMP13ALDH1A1POLBMMP2MMP3 | |
| SCHEMBL9734487 | 0.75 | ALDH1A1 (0.50) | MMP13ALDH1A1POLBMMP2MMP3 | |
| SCHEMBL9729935 | 0.73 | MMP13 (0.66) | MMP13ALDH1A1POLBMMP2MMP3 | |
| SCHEMBL10466906 | 0.72 | ALDH1A1 (0.45) | MMP13ALDH1A1MMP2MMP3MMP9 | |
| SCHEMBL9874462 | 0.72 | MMP13 (0.50) | MMP13ALDH1A1POLBMMP2MMP3 | |
| SCHEMBL5704167 | 0.70 | CA12 (0.63) | GSTP1PTGS2MAOAMAOBALDH1A1 | |
| SCHEMBL9730839 | 0.70 | MMP13 (0.52) | MMP13ALDH1A1POLBMMP2MMP3 | |
| SCHEMBL515166 | 0.70 | KMT2A (0.48) | MMP13ALDH1A1POLBMMP2MMP3 | |
| SCHEMBL10401778 | 0.70 | DDB1 (0.44) | MMP13ALDH1A1POLBMMP2MMP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4847388-A | Polycyclic unsaturated ethers and esters | SHELL OIL COMPANY (US) | 1989-07-11 | — | — | US | claimed |
| EP-0359341-B1 | 1,6-diazaspiro[4,4]nonane-2,7-dione derivatives | SHELL INT RESEARCH (NL) | 1994-02-16 | — | — | EP | disclosed |
| US-5013805-A | Cured resin products | SHELL OIL COMPANY (US) | 1991-05-07 | — | — | US | disclosed |
| EP-0359341-A2 | 1,6-diazaspiro[4,4]nonane-2,7-dione derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-03-21 | — | — | EP | disclosed |