Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | CPA1 | P15085 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9755798 | 1.00 | ABCB1 (0.48) | ABCB1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL12373434 | 0.87 | CPA1 (0.50) | ABCB1ALDH1A1MAOBNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL4841802 | 0.84 | ABCB1 (0.46) | ABCB1ALDH1A1MAOBNPC1RAB9A | |
| SCHEMBL28240288 | 0.84 | MMP8 (0.49) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL8051200 | 0.80 | CPA3 (0.58) | CYP3A4MAPK1TRPA1CYP1A2SLC7A5 | |
| SCHEMBL7297804 | 0.80 | CPA3 (0.58) | CYP3A4MAPK1TRPA1CYP1A2SLC7A5 | |
| SCHEMBL6489445 | 0.80 | CPA1 (0.54) | ABCB1NPC1RAB9ACPA1 | |
| SCHEMBL3450837 | 0.80 | MEN1 (0.41) | ABCB1ALDH1A1MAOBNPC1RAB9A | |
| SCHEMBL3450839 | 0.80 | MEN1 (0.41) | ABCB1ALDH1A1MAOBNPC1RAB9A | |
| SCHEMBL7506611 | 0.80 | ABCB1 (0.48) | ABCB1CYP3A4MAPK1MAOBNPC1 |
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-1991005763-A1 | DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME | THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) | 1991-05-02 | — | — | WO | disclosed |