Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | PHGDH | O43175 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL29922252 | 0.87 | CYP1A2 (0.52) | CYP1A2TDP1PAOXCA12CA2 | |
| N-Methylpiperidine SCHEMBL27874745 | 0.85 | CYP1A2 (0.46) | CYP1A2TDP1LMNAALOX15BLM | |
| SCHEMBL189872 | 0.79 | CYP1A2 (0.59) | CYP1A2TDP1LMNAHTR1AALDH1A1 | |
| Bicarbonate SCHEMBL16668956 | 0.79 | CYP1A2 (0.58) | CYP1A2TDP1PAOXCA12CA2 | |
| Hydrochloric Acid SCHEMBL3228161 | 0.77 | CYP1A2 (0.56) | CYP1A2TDP1LMNAHTR1AHTT | |
| Hydrochloric Acid SCHEMBL7438943 | 0.77 | CYP1A2 (0.56) | CYP1A2TDP1LMNAHTR1AHTT | |
| Acetamide SCHEMBL6616677 | 0.76 | LMNA (0.57) | CYP1A2TDP1LMNAALOX15BLM | |
| SCHEMBL33260 | 0.75 | CYP1A2 (1.00) | CYP1A2TDP1HTR1AKDM4EHTT | |
| SCHEMBL13925516 | 0.75 | CYP1A2 (1.00) | CYP1A2TDP1HTR1AKDM4EHTT | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL28432798 | 0.75 | CYP1A2 (0.42) | CYP1A2TDP1LMNAPAOXCA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008107320-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |