Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5929455 | 0.95 | LTB4R (0.37) | NNMTLTB4RLTB4R2MAPTMEN1 | |
| SCHEMBL5925600 | 0.87 | TDP1 (0.44) | MAPTMEN1CYP3A4KMT2AKDM4E | |
| SCHEMBL7594740 | 0.85 | NNMT (0.40) | NNMTLTB4RLTB4R2MAPTMEN1 | |
| SCHEMBL15648429 | 0.80 | NNMT (0.44) | NNMTMAPTKDM4EALDH1A1GAA | |
| SCHEMBL27656498 | 0.80 | PARP1 (0.39) | NNMTMAPTMEN1NR1I2LMNA | |
| SCHEMBL29443121 | 0.79 | NNMT (0.43) | NNMTMAPTMEN1KMT2AKDM4E | |
| SCHEMBL22904902 | 0.79 | NNMT (0.43) | NNMTMAPTMEN1KMT2AKDM4E | |
| SCHEMBL29443122 | 0.79 | NNMT (0.43) | NNMTMAPTMEN1KMT2AKDM4E | |
| SCHEMBL28925024 | 0.78 | NNMT (0.40) | NNMTMAPTMEN1KMT2AKDM4E | |
| SCHEMBL11039311 | 0.78 | NNMT (0.52) | NNMTMAPTMEN1KMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20060110743-A1 | Drug evolution: drug design at hot spots | KONISHI YASUO | 2006-05-25 | — | — | US | disclosed |
| WO-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | WO | disclosed |