Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 6/20 | 0.48 |
| ▸ | MMP12 | P39900 | 6/20 | 0.48 |
| ▸ | MMP13 | P45452 | 6/20 | 0.48 |
| ▸ | MMP14 | P50281 | 6/20 | 0.48 |
| ▸ | MMP9 | P14780 | 5/20 | 0.48 |
| ▸ | MMP8 | P22894 | 4/20 | 0.48 |
| ▸ | MMP16 | P51512 | 4/20 | 0.48 |
| ▸ | MMP1 | P03956 | 4/20 | 0.48 |
| ▸ | MMP3 | P08254 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21465864 | 0.83 | CA12 (0.52) | ALDH1A1ATMMEN1TSHRKMT2A | |
| SCHEMBL6479739 | 0.81 | MMP2 (0.55) | ALDH1A1MMP2MMP12MMP13MMP14 | |
| SCHEMBL26213760 | 0.79 | CA12 (0.66) | ALDH1A1ATMMMP2MMP13MMP9 | |
| SCHEMBL11180737 | 0.77 | MMP2 (0.51) | MMP2MMP12MMP13MMP14MMP9 | |
| Isobutane SCHEMBL11718590 | 0.76 | MMP2 (0.54) | MMP2MMP12MMP13MMP14MMP9 | |
| SCHEMBL7751036 | 0.76 | ATM (0.40) | ALDH1A1ATMMEN1TSHRKMT2A | |
| SCHEMBL16799978 | 0.75 | GBA1 (0.56) | ALDH1A1MMP2MMP12MMP13MMP14 | |
| SCHEMBL15352816 | 0.74 | PKM (0.49) | ALDH1A1ATMCA2ALOX5APFEN1 | |
| SCHEMBL6066041 | 0.74 | F2 (0.51) | ALDH1A1ATMCA12CA9CA2 | |
| SCHEMBL4373557 | 0.74 | F2 (0.51) | ALDH1A1ATMCA12CA9CA2 |
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-3077372-A1 | ROR GAMMA (RORY) MODULATORS | Lead Pharma Cel Models IP B.V. (NL) | 2016-10-12 | — | — | EP | disclosed |
| WO-2015082533-A1 | ROR GAMMA (RORY) MODULATORS | LEAD PHARMA CEL MODELS IP B.V. (NL) | 2015-06-11 | — | — | WO | disclosed |