Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.59 |
| ▸ | RAB9A | P51151 | 7/20 | 0.59 |
| ▸ | NPC1 | O15118 | 6/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3277212 | 0.97 | ALDH1A1 (0.63) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL3273226 | 0.83 | ALDH1A1 (0.68) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL1771243 | 0.81 | ALDH1A1 (0.59) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL691361 | 0.79 | TSHR (0.67) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL3277209 | 0.78 | ALDH1A1 (0.63) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL172155 | 0.78 | ALDH1A1 (0.63) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL692419 | 0.78 | ALDH1A1 (0.55) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL1118025 | 0.76 | TSHR (0.62) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| Bromide SCHEMBL7480303 | 0.76 | ALDH1A1 (0.56) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL1118053 | 0.75 | ALDH1A1 (0.59) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB |
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-2421871-A1 | THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER | Boehringer Ingelheim International GmbH (DE) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010122071-A1 | THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-28 | — | — | WO | disclosed |