Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6568105 | 0.77 | TSHR (0.46) | MEN1KMT2AATM | |
| SCHEMBL6981619 | 0.77 | IDO1 (0.38) | IDO1TDO2ACHEAOC3MEN1 | |
| SCHEMBL8773918 | 0.74 | MEN1 (0.52) | IDO1TDO2ACHEAOC3MEN1 | |
| SCHEMBL1028130 | 0.73 | IDO1 (0.38) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| Ammonia Solution, Strong SCHEMBL27969947 | 0.71 | IDO1 (0.37) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL11001158 | 0.71 | MAPT (0.45) | ACHEMEN1KMT2AALDH1A1GAA | |
| SCHEMBL930683 | 0.69 | IDO1 (0.42) | IDO1TDO2ACHEAOC3HDAC3 | |
| SCHEMBL6959704 | 0.68 | MEN1 (0.64) | AOC3MEN1KMT2AATMSLC6A2 | |
| SCHEMBL424538 | 0.68 | IDO1 (0.46) | IDO1TDO2ACHEAOC3HDAC3 | |
| SCHEMBL6903910 | 0.68 | TSHR (0.50) | IDO1TDO2ACHEAOC3HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1370176-A | Subsstituted heterocycle fused gamma-carbolines | BRISTOL MYERS SQUIBB CO (US) | 2002-09-18 | — | — | CN | disclosed |
| EP-1192165-A2 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | Bristol-Myers Squibb Pharma Company (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000077010-A2 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |