Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.44 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.44 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.39 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16954677 | 0.84 | TSHR (0.43) | ALDH1A1TSHRCYP3A4TDP1HPGD | |
| SCHEMBL2480998 | 0.84 | VCAM1 (0.67) | ALDH1A1TSHRCYP3A4TDP1HPGD | |
| SCHEMBL1996062 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP3A4TDP1HPGD | |
| SCHEMBL1005841 | 0.82 | TSHR (0.55) | ALDH1A1TSHRCYP3A4TDP1HPGD | |
| Hydrochloric Acid SCHEMBL28212666 | 0.81 | TSHR (0.53) | ALDH1A1TSHRCYP3A4TDP1HPGD | |
| SCHEMBL7020973 | 0.80 | VCAM1 (0.58) | ALDH1A1TSHRCYP3A4TDP1HPGD | |
| SCHEMBL348329 | 0.80 | VCAM1 (0.64) | ALDH1A1TSHRCYP3A4TDP1HPGD | |
| SCHEMBL20569225 | 0.79 | VCAM1 (0.46) | ALDH1A1TSHRCYP3A4TDP1HPGD | |
| Hydrazine SCHEMBL28307217 | 0.79 | TSHR (0.52) | ALDH1A1TSHRCYP3A4TDP1HPGD | |
| SCHEMBL728390 | 0.78 | CES2 (0.46) | ALDH1A1TSHRCYP3A4TDP1HPGD |
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-1836174-B1 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC (US) | 2013-02-27 | — | — | EP | disclosed |
| EP-1836174-A2 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC. (US) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006039718-A2 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC (US) | 2006-04-13 | — | — | WO | disclosed |