Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2817711 | 0.81 | RAB9A (0.55) | KMT2AMEN1PKMNPC1RAB9A | |
| SCHEMBL13506700 | 0.81 | HPGD (0.53) | KMT2AMEN1PKMNPC1ALDH1A1 | |
| SCHEMBL7444006 | 0.80 | RAB9A (0.50) | KMT2AMEN1PKMNPC1ALDH1A1 | |
| SCHEMBL6906056 | 0.78 | MAPT (0.49) | KMT2AALDH1A1HPGDTP53CYP1A2 | |
| SCHEMBL12674223 | 0.77 | MAPT (0.53) | KMT2AALDH1A1CA12CA2CA9 | |
| SCHEMBL15165520 | 0.77 | KDM4E (0.47) | KMT2AALDH1A1 | |
| SCHEMBL9634432 | 0.77 | ADRA2A (0.57) | KMT2AMEN1ALDH1A1HPGDCYP1A2 | |
| SCHEMBL9542710 | 0.77 | MAPT (0.48) | KMT2AALDH1A1TP53CYP1A2CYP2C9 | |
| SCHEMBL2450877 | 0.76 | KMT2A (0.69) | NPSR1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL2472433 | 0.76 | MAPT (0.62) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP2C9 |
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-3337795-A1 | PIPERIDINOBENZODIAZEPINE COMPOUNDS WITH ANTI PROLIFERATIVE ACTIVITY | Femtogenix Limited (GB) | 2018-06-27 | — | — | EP | disclosed |
| WO-2017032983-A1 | PIPERIDINOBENZODIAZEPINE COMPOUNDS WITH ANTI PROLIFERATIVE ACTIVITY | FEMTOGENIX LIMITED (GB) | 2017-03-02 | — | — | WO | disclosed |