Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL2115106 | 0.85 | USP2 (0.44) | USP2PAK1ALDH1A1CYP2A6TSHR | |
| SCHEMBL2116452 | 0.83 | TSHR (0.44) | USP2PAK1ALDH1A1CYP2A6TSHR | |
| SCHEMBL2116926 | 0.82 | USP2 (0.38) | USP2PAK1ALDH1A1CYP2A6TSHR | |
| SCHEMBL5610077 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL79572 | 0.75 | NCEH1 (0.46) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| Naphthalene SCHEMBL11043776 | 0.75 | NCEH1 (0.46) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL7922105 | 0.75 | CYP2A6 (0.56) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL25156358 | 0.73 | POLB (0.50) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL5609947 | 0.73 | ALDH1A1 (0.44) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL12533427 | 0.73 | CYP2A6 (0.54) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130123326-A1 | ALLOSTERIC BINDING COMPOUNDS | REGION MIDTJYLLAND (DK) | 2013-05-16 | — | — | US | claimed |
| US-20120095048-A1 | ALLOSTERIC BINDING COMPOUNDS | REGION MIDT JYLLAND (DK) | 2012-04-19 | — | — | US | claimed |
| EP-2398760-A1 | ALLOSTERIC BINDING COMPOUNDS | Aarhus Universitet (DK) | 2011-12-28 | — | — | EP | claimed |
| WO-2010094289-A1 | ALLOSTERIC BINDING COMPOUNDS | AARHUS UNIVERSITET (DK) | 2010-08-26 | — | — | WO | claimed |
| US-20130123326-A1 | ALLOSTERIC BINDING COMPOUNDS | REGION MIDTJYLLAND (DK) | 2013-05-16 | — | — | US | disclosed |
| US-20120095048-A1 | ALLOSTERIC BINDING COMPOUNDS | REGION MIDT JYLLAND (DK) | 2012-04-19 | — | — | US | disclosed |
| EP-2398760-A1 | ALLOSTERIC BINDING COMPOUNDS | Aarhus Universitet (DK) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094289-A1 | ALLOSTERIC BINDING COMPOUNDS | AARHUS UNIVERSITET (DK) | 2010-08-26 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120095048-A1 | ALLOSTERIC BINDING COMPOUNDS | GRIN2C, GRM2, GRIN2B | USP2 4133/4885PAK1 808/4885ALDH1A1 3676/4885 |
| US-20130123326-A1 | ALLOSTERIC BINDING COMPOUNDS | GRIN2C, GRM2, GRIN2B | USP2 4133/4885PAK1 808/4885ALDH1A1 3676/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.