Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PDE5A | O76074 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL325963 | 1.00 | KDM4E (0.50) | KDM4ECYP1A2NPC1HPGDRAB9A | |
| SCHEMBL10254576 | 1.00 | KDM4E (0.50) | KDM4ECYP1A2NPC1HPGDRAB9A | |
| SCHEMBL10288359 | 0.78 | PDE5A (0.59) | KDM4ECYP3A4PDE5AMAPTALDH1A1 | |
| SCHEMBL10254906 | 0.74 | PDE5A (0.49) | KDM4EPDE5AMAPTALDH1A1LMNA | |
| SCHEMBL4769071 | 0.73 | ALDH1A1 (0.60) | KDM4ESMN1; SMN2MAPTALDH1A1MAPK1 | |
| SCHEMBL325735 | 0.73 | MAPT (0.51) | KDM4ESMN1; SMN2PDE5AMAPTALDH1A1 | |
| SCHEMBL326104 | 0.72 | MAPT (0.50) | KDM4ESMN1; SMN2PDE5AMAPTALDH1A1 | |
| SCHEMBL325145 | 0.71 | ALDH1A1 (0.49) | KDM4ESMN1; SMN2PDE5AMAPTALDH1A1 | |
| SCHEMBL14463668 | 0.71 | ALDH1A1 (0.49) | KDM4ESMN1; SMN2PDE5AMAPTALDH1A1 | |
| SCHEMBL12158761 | 0.71 | OPRK1 (0.50) | NPC1RAB9ASMN1; SMN2PDE5AMAPT |
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-2585069-A1 | PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN | Janssen Pharmaceutica, N.V. (BE) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012006004-A1 | PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN | JANSSEN PHARMACEUTICA NV (BE) | 2012-01-12 | — | — | WO | disclosed |