Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4302849 | 0.85 | MCL1 (0.35) | ALDH1A1CYP1A2CYP2C19NPC1KDM4E | |
| SCHEMBL4301399 | 0.85 | CYP1A2 (0.34) | ALDH1A1CYP1A2CYP2C19NPC1HTT | |
| SCHEMBL4304235 | 0.84 | MAPT (0.37) | ALDH1A1MAPTSMN1; SMN2KMT2ATSHR | |
| SCHEMBL4303399 | 0.84 | LMNA (0.37) | ALDH1A1MAPTKMT2AKDM4EF2 | |
| SCHEMBL4311072 | 0.81 | MRGPRX4 (0.37) | ALDH1A1RAB9ACYP1A2CYP2C19KMT2A | |
| SCHEMBL4304477 | 0.79 | TP53BP1 (0.38) | ALDH1A1MAPTRAB9AKMT2ANPC1 | |
| SCHEMBL8015699 | 0.75 | PKM (0.44) | ALDH1A1MAPTRAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL4306435 | 0.73 | CYP1A2 (0.41) | ALDH1A1MAPTRAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL5467355 | 0.70 | MAPT (0.41) | ALDH1A1MAPTRAB9ANPC1KDM4E | |
| SCHEMBL2808314 | 0.69 | ALDH1A1 (0.48) | ALDH1A1MAPTRAB9ASMN1; SMN2CYP1A2 |
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-2009130231-A1 | PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-29 | — | — | WO | disclosed |