Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 8/20 | 0.40 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6128436 | 0.88 | NR3C1 (0.39) | MEN1KMT2AATMNR3C1TSPO | |
| SCHEMBL1687998 | 0.76 | FAAH (0.41) | KMT2ACYP2D6NPC1LMNATSHR | |
| SCHEMBL113438 | 0.76 | TSPO (0.41) | KMT2ANR3C1TSPOLMNA | |
| SCHEMBL13417394 | 0.75 | FAAH (0.42) | KMT2ACYP2D6NPC1LMNATSHR | |
| SCHEMBL13417245 | 0.74 | KMT2A (0.35) | MEN1KMT2AATMLMNATSHR | |
| SCHEMBL17849881 | 0.74 | FAAH (0.34) | MEN1KMT2ANR3C1MMP9MMP13 | |
| SCHEMBL17849906 | 0.73 | FAAH (0.33) | MEN1KMT2ANR3C1CYP2D6MMP9 | |
| SCHEMBL9288716 | 0.73 | FAAH (0.42) | KMT2ACYP2D6NPC1LMNATSHR | |
| SCHEMBL10107486 | 0.72 | LMNA (0.41) | KMT2ACYP2D6NPC1LMNATSHR | |
| SCHEMBL9286322 | 0.72 | FAAH (0.38) | KMT2ACYP2D6NPC1LMNATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012047907-A9 | SYNTHESIS OF C5-SUBSTITUTED TETRACYCLINES, USES THEREOF, AND INTERMEDIATES THERETO | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-09-27 | — | — | WO | disclosed |
| WO-2012047907-A1 | SYNTHESIS OF C5-SUBSTITUTED TETRACYCLINES, USES THEREOF, AND INTERMEDIATES THERETO | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-04-12 | — | — | WO | disclosed |