Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL10638434 | 0.96 | MDM2 (0.42) | MDM2TDP1L3MBTL1ATMNPC1 | |
| Ethylene Glycol SCHEMBL11638414 | 0.95 | MDM2 (0.41) | MDM2TDP1L3MBTL1ATMNPC1 | |
| SCHEMBL5158706 | 0.84 | MDM2 (0.47) | MDM2TDP1L3MBTL1ATMNPC1 | |
| SCHEMBL3728429 | 0.82 | SLC6A2 (0.54) | MDM2TDP1L3MBTL1ATMNPC1 | |
| SCHEMBL633684 | 0.82 | MAPK1 (0.47) | MDM2TDP1L3MBTL1ATMNPC1 | |
| SCHEMBL9275408 | 0.81 | CES2 (0.51) | NPC1RAB9ACES1LMNACES2 | |
| SCHEMBL27638714 | 0.80 | MDM2 (0.47) | MDM2TDP1L3MBTL1ATMNPC1 | |
| SCHEMBL29066943 | 0.79 | MDM2 (0.43) | MDM2TDP1L3MBTL1ATMNPC1 | |
| SCHEMBL11119075 | 0.78 | MDM2 (0.46) | MDM2TDP1L3MBTL1ATMNPC1 | |
| SCHEMBL633402 | 0.78 | SLC6A2 (0.50) | MDM2TDP1L3MBTL1ATMNPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103626766-B | With the synthesis of the heterocyclic fused γ carbolines of substitution | 细胞内治疗公司 | 2017-06-09 | — | — | CN | claimed |
| CN-103626766-B | With the synthesis of the heterocyclic fused γ carbolines of substitution | 细胞内治疗公司 | 2017-06-09 | — | — | CN | disclosed |
| CN-103626766-A | Substituted heterocycle fused gamma-carbolines synthesis | INTRA CELLULAR THERAPIES INC | 2014-03-12 | — | — | CN | disclosed |
| CN-101796051-B | Synthesis of substituted heterocycle fused gamma-carbolines | INTRA CELLULAR THERAPIES INC | 2013-11-06 | — | — | CN | disclosed |
| US-5512584-A | 1,3,4-trisubstituted piperidine derivatives, the preparation and use thereof | BASF AKTIENGESELLSCHAFT (DE) | 1996-04-30 | — | — | US | disclosed |