Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | DDX3X | O00571 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10867338 | 0.85 | TSHR (0.60) | TSHRLMNAALDH1A1TDP1CYP1A2 | |
| SCHEMBL11366219 | 0.83 | TSHR (0.58) | TSHRLMNAALDH1A1TDP1CYP1A2 | |
| SCHEMBL27999912 | 0.83 | TSHR (0.58) | TSHRLMNAALDH1A1TDP1CYP1A2 | |
| SCHEMBL27999913 | 0.83 | TSHR (0.58) | TSHRLMNAALDH1A1TDP1CYP1A2 | |
| SCHEMBL3891779 | 0.82 | TSHR (0.57) | TSHRLMNAALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL11865771 | 0.82 | TSHR (0.57) | TSHRLMNAALDH1A1TDP1CYP2D6 | |
| SCHEMBL11333364 | 0.82 | TSHR (0.57) | TSHRLMNAALDH1A1TDP1CYP1A2 | |
| SCHEMBL21465728 | 0.82 | TSHR (0.61) | TSHRLMNAALDH1A1TDP1CYP1A2 | |
| SCHEMBL4600404 | 0.82 | TSHR (0.61) | TSHRLMNAALDH1A1TDP1CYP1A2 | |
| SCHEMBL1205510 | 0.81 | TSHR (0.59) | TSHRLMNAALDH1A1TDP1CYP1A2 |
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-1633365-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004105765-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-12-09 | — | — | WO | disclosed |