Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL4556944 | 0.82 | MEN1 (0.40) | MMP1MMP9MMP13LIMK1LIMK2 | |
| SCHEMBL4556943 | 0.82 | MEN1 (0.40) | MMP1MMP9MMP13LIMK1LIMK2 | |
| SCHEMBL2873986 | 0.78 | MEN1 (0.38) | MMP1MMP9MMP13LTA4HRIPK1 | |
| SCHEMBL13724235 | 0.71 | CETP (0.41) | MMP1MMP9MMP13TDP1RIPK1 | |
| SCHEMBL29159732 | 0.67 | LMNA (0.44) | MMP1MMP9MMP13LTA4HRIPK1 | |
| SCHEMBL353290 | 0.65 | OPRM1 (0.42) | TDP1RORCLTA4HRIPK1MEN1 | |
| SCHEMBL6850422 | 0.65 | ESR1 (0.48) | TDP1LTA4HCNR2MEN1KMT2A | |
| SCHEMBL6302960 | 0.65 | ESR1 (0.48) | TDP1CNR2MEN1KMT2A | |
| Tert-Butylbenzene SCHEMBL28226517 | 0.64 | ALDH1A1 (0.42) | MMP1MMP9MMP13TDP1S1PR1 | |
| SCHEMBL3271344 | 0.64 | SMN1; SMN2 (0.46) | MMP1MMP9MMP13TDP1KMT2A |
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-2120965-A1 | N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES | Novabay Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008083347-A1 | N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES | NOVABAY PHARMACEUTICALS, INC. (US) | 2008-07-10 | — | — | WO | disclosed |