Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7734536 | 0.84 | TSHR (0.41) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL7733591 | 0.82 | MAPT (0.42) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL7734559 | 0.81 | CA1 (0.44) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL7731897 | 0.80 | TDP1 (0.42) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL7723776 | 0.79 | CES2 (0.52) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL7723773 | 0.79 | CES2 (0.52) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL7731880 | 0.79 | SMN1; SMN2 (0.43) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL27373888 | 0.71 | NPC1 (0.58) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL29851622 | 0.68 | CES2 (0.53) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL6904379 | 0.68 | CES2 (0.53) | MEN1KMT2ANPC1RAB9AKDM4E |
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-6399787-B1 | TRANSITION METAL COMPLEX | PENN STATE RESEARCH FOUNDATION | 2002-06-04 | — | — | US | disclosed |
| WO-1999059721-A1 | CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES | THE PENN STATE RESEARCH FOUNDATION (US) | 1999-11-25 | — | — | WO | disclosed |