Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30601900 | 1.00 | TDP1 (0.58) | TDP1L3MBTL1CHRM2MEN1CYP1A2 | |
| SCHEMBL997571 | 1.00 | TDP1 (0.58) | TDP1L3MBTL1CHRM2MEN1CYP1A2 | |
| SCHEMBL606389 | 1.00 | TDP1 (0.58) | TDP1L3MBTL1CHRM2MEN1CYP1A2 | |
| SCHEMBL8072364 | 1.00 | TDP1 (0.58) | TDP1L3MBTL1CHRM2MEN1CYP1A2 | |
| SCHEMBL29545568 | 1.00 | TDP1 (0.58) | TDP1L3MBTL1CHRM2MEN1CYP1A2 | |
| SCHEMBL31036100 | 1.00 | TDP1 (0.58) | TDP1L3MBTL1CHRM2MEN1CYP1A2 | |
| SCHEMBL6505837 | 0.98 | TDP1 (0.56) | TDP1L3MBTL1CYP1A2CYP2C19HDAC8 | |
| SCHEMBL571198 | 0.93 | CASP3 (0.54) | TDP1L3MBTL1CHRM2MEN1CYP1A2 | |
| SCHEMBL12134369 | 0.87 | HEXA (0.66) | MEN1KMT2AHDAC8HDAC3HDAC4 | |
| SCHEMBL12134377 | 0.87 | HEXA (0.66) | MEN1KMT2AHDAC8HDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012035061-A1 | PROCESS FOR THE PREPARATION OF 1,2-DIAMINES BY INTERMOLECULAR TRANSFER OF TWO NITROGEN GROUPS ONTO ALKENES AND INTERMEDIATES THEREOF | INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) | 2012-03-22 | — | — | WO | claimed |
| WO-2012035061-A1 | PROCESS FOR THE PREPARATION OF 1,2-DIAMINES BY INTERMOLECULAR TRANSFER OF TWO NITROGEN GROUPS ONTO ALKENES AND INTERMEDIATES THEREOF | INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) | 2012-03-22 | — | — | WO | disclosed |