Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL852674 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TRPA1TSHRCYP3A4TDP1 | |
| SCHEMBL5922952 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TRPA1TSHRCYP3A4TDP1 | |
| SCHEMBL6585676 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TRPA1TSHRCYP3A4TDP1 | |
| SCHEMBL6584152 | 0.82 | L3MBTL1 (0.47) | ALDH1A1TRPA1TSHRCYP3A4TDP1 | |
| SCHEMBL20398910 | 0.80 | TSHR (0.56) | ALDH1A1TSHRCYP3A4TDP1ATM | |
| SCHEMBL21694553 | 0.80 | CYP3A4 (0.50) | ALDH1A1TRPA1TSHRCYP3A4TDP1 | |
| SCHEMBL6276955 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TRPA1TSHRCYP3A4TDP1 | |
| SCHEMBL3676008 | 0.78 | GPR84 (0.50) | ALDH1A1TRPA1TSHRCYP3A4TDP1 | |
| SCHEMBL22462113 | 0.78 | GPR84 (0.50) | ALDH1A1TRPA1TSHRCYP3A4TDP1 | |
| SCHEMBL3676004 | 0.78 | GPR84 (0.50) | ALDH1A1TRPA1TSHRCYP3A4TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1255758-A1 | APOPTOSIS-INDUCING COMPOUNDS | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001058904-A9 | APOPTOSIS-INDUCING COMPOUNDS | TRINITY COLLEGE DUBLIN (IE) | 2002-02-21 | — | — | WO | disclosed |
| WO-2001058904-A1 | APOPTOSIS-INDUCING COMPOUNDS | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2001-08-16 | — | — | WO | disclosed |