Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 3/20 | 0.42 |
| ▸ | MMP12 | P39900 | 3/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16582658 | 0.81 | CES2 (0.62) | ALDH1A1SRD5A2GAAATMTDP1 | |
| SCHEMBL1744898 | 0.81 | ALDH1A1 (0.64) | ALDH1A1SRD5A2GAAATMTDP1 | |
| SCHEMBL26668399 | 0.79 | MMP2 (0.55) | ALDH1A1SRD5A2GAAATMTDP1 | |
| SCHEMBL10411918 | 0.79 | ALDH1A1 (0.61) | ALDH1A1SRD5A2GAAATMTDP1 | |
| SCHEMBL1151193 | 0.78 | CYP1A2 (0.58) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL28847017 | 0.78 | ACACB (0.46) | ALDH1A1GAAL3MBTL1RAB9AKMT2A | |
| SCHEMBL20208922 | 0.75 | CYP1A2 (0.54) | ALDH1A1MEN1KMT2AMAPTMMP2 | |
| SCHEMBL29643334 | 0.75 | ALDH1A1 (0.46) | ALDH1A1SRD5A2GAAATMTDP1 | |
| SCHEMBL16582661 | 0.74 | ALDH1A1 (0.61) | ALDH1A1SRD5A2ATMTDP1L3MBTL1 | |
| Benzophenone SCHEMBL28027212 | 0.73 | ALDH1A1 (0.82) | ALDH1A1SRD5A2ATMTDP1L3MBTL1 |
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-11065187-B2 | Particle bound photosensitizer molecule with reduced toxicity | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2021-07-20 | — | — | US | disclosed |
| US-20190336425-A1 | PARTICLE BOUND PHOTOSENSITIZER MOLECULE WITH REDUCED TOXICITY | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2019-11-07 | — | — | US | disclosed |
| US-10413495-B2 | Particle bound photosensitizer molecule with reduced toxicity | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2019-09-17 | — | — | US | disclosed |
| US-20180133134-A1 | PARTICLE BOUND PHOTOSENSITIZER MOLECULE WITH REDUCED TOXICITY | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2018-05-17 | — | — | US | disclosed |