Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL14336043 | 0.89 | TDP1 (0.59) | TDP1LMNAKMT2AHSD11B1ALDH1A1 | |
| SCHEMBL28023649 | 0.85 | HSD11B1 (0.55) | NPC1RAB9ATDP1LMNATSHR | |
| SCHEMBL28023642 | 0.85 | LMNA (0.49) | NPC1RAB9ATDP1LMNATSHR | |
| SCHEMBL27933090 | 0.80 | TDP1 (0.66) | TDP1LMNAKMT2AHSD11B1ALDH1A1 | |
| SCHEMBL28621564 | 0.80 | GAA (0.47) | NPC1TDP1LMNACYP3A4TSHR | |
| SCHEMBL5711929 | 0.78 | CA2 (0.54) | NPC1TDP1LMNACYP3A4TSHR | |
| SCHEMBL6332456 | 0.78 | CYP3A4 (0.57) | NPC1RAB9ALMNACYP1A2CYP3A4 | |
| SCHEMBL27256658 | 0.78 | TDP1 (0.61) | NPC1RAB9ATDP1LMNATSHR | |
| SCHEMBL27785317 | 0.77 | TDP1 (0.66) | NPC1RAB9ATDP1LMNATSHR | |
| SCHEMBL28023022 | 0.77 | TDP1 (0.57) | NPC1RAB9ATDP1LMNATSHR |
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-5082963-A | Water solubility | HOECHST CELANESE CORPORATION (US) | 1992-01-21 | — | — | US | disclosed |