Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SCN4A | P35499 | 1/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6190907 | 0.79 | LMNA (0.34) | LMNATRPA1TSHRMAPK1SCN4A | |
| Hydrochloric Acid SCHEMBL8205122 | 0.77 | LMNA (0.33) | LMNATRPA1TSHRMAPK1SCN4A | |
| Hydrochloric Acid SCHEMBL8206694 | 0.77 | LMNA (0.33) | LMNATRPA1TSHRMAPK1SCN4A | |
| SCHEMBL28760203 | 0.76 | TDP1 (0.32) | — | |
| Oxalic Acid SCHEMBL8205203 | 0.75 | MEN1 (0.32) | LMNATRPA1TSHRMAPK1SCN4A | |
| SCHEMBL5079126 | 0.74 | AKR1B1 (0.38) | LMNACYP1A2TSHR | |
| SCHEMBL6188489 | 0.73 | SMN1; SMN2 (0.41) | LMNAPKMSMN1; SMN2NPSR1TSHR | |
| SCHEMBL9933267 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL8205903 | 0.72 | HSD17B10 (0.36) | SMN1; SMN2NPSR1TRPA1P2RX4MAPK1 | |
| SCHEMBL7377317 | 0.70 | TRPA1 (0.37) | LMNATRPA1P2RX4TSHRMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1784188-A4 | FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2009-06-24 | — | — | EP | disclosed |
| EP-1784188-A2 | FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006023750-A2 | FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2006-03-02 | — | — | WO | disclosed |