Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.70 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.60 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.60 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.60 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.60 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.54 |
| ▸ | MAPT | P10636 | 7/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 8/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27968646 | 0.98 | NPC1 (0.68) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL17694969 | 0.96 | NPC1 (0.71) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL18905473 | 0.92 | GABRA1 (0.71) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL7444977 | 0.88 | KMT2A (0.72) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22377088 | 0.88 | GABRA1 (0.68) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL28145606 | 0.81 | GABRA1 (0.64) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL190954 | 0.81 | AURKA (0.63) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL29620532 | 0.81 | AURKA (0.63) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL17343944 | 0.80 | GABRA1 (0.55) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL17343967 | 0.80 | GABRA1 (0.55) | NPC1GABRA1GABRG2GABRB3GABRA5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103974948-B | Substituted benzyl indazoles as BUB1 kinase inhibitors in the treatment of hyperproliferative diseases | 拜耳医药股份有限公司 | 2017-07-28 | — | — | CN | claimed |
| CN-103974948-B | Substituted benzyl indazoles as BUB1 kinase inhibitors in the treatment of hyperproliferative diseases | 拜耳医药股份有限公司 | 2017-07-28 | — | — | CN | disclosed |
| EP-0948497-A2 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE | Amgen inc. (US) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998024782-A2 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE | AMGEN INC. (US) | 1998-06-11 | — | — | WO | disclosed |