Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 6/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 4/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1260006 | 0.77 | LMNA (0.36) | CYP1A2TSHRMAPK1KDM4EHTT | |
| SCHEMBL7976143 | 0.74 | HASPIN (0.34) | PDPK1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL12471686 | 0.73 | DCPS (0.38) | PDPK1POLBCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL1261600 | 0.72 | KDM4E (0.32) | ALDH1A1TSHRKDM4ENPSR1RXFP1 | |
| SCHEMBL30824482 | 0.72 | KDM4E (0.46) | PDPK1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL382006 | 0.72 | KDM4E (0.46) | PDPK1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL20265014 | 0.71 | KDM4E (0.39) | PDPK1POLBCYP1A2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL28102802 | 0.71 | KDM4E (0.44) | PDPK1POLBCYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL28174209 | 0.71 | KDM4E (0.44) | PDPK1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL30231551 | 0.69 | PDGFRB (0.46) | POLBCYP1A2CYP3A4CYP2C19ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |