Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | MAPT | P10636 | 4/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | EGFR | P00533 | 1/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.64 |
| ▸ | GFER | P55789 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | MMP1 | P03956 | 1/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.58 |
| ▸ | MMP9 | P14780 | 1/20 | 0.58 |
| ▸ | MMP8 | P22894 | 1/20 | 0.58 |
| ▸ | MMP13 | P45452 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL8657117 | 0.91 | HSD17B10 (0.67) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9176266 | 0.89 | PTGS2 (0.78) | ALDH1A1CYP2C9EGFRPTGS2CA1 | |
| SCHEMBL8659568 | 0.89 | HSD17B10 (0.65) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8437461 | 0.83 | GFER (0.58) | ALDH1A1MAPTCYP3A4GFERHSD17B10 | |
| SCHEMBL7770073 | 0.83 | HSD17B10 (0.57) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9174139 | 0.82 | EGFR (0.64) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL23447714 | 0.81 | KMT2A (0.73) | ALDH1A1MAPTEGFRPTGS2CA1 | |
| SCHEMBL9176789 | 0.81 | FLT1 (0.84) | ALDH1A1MAPTEGFRPTGS2HTT | |
| SCHEMBL3396415 | 0.81 | PTGS2 (0.68) | ALDH1A1CYP2C9EGFRPTGS2CA1 | |
| SCHEMBL789891 | 0.81 | FLT1 (0.84) | ALDH1A1MAPTEGFRPTGS2HTT |
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-2616073-A2 | INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS | Microbiotix, Inc. (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012037119-A2 | INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS | MICROBIOTIX, INC. (US) | 2012-03-22 | — | — | WO | disclosed |