Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 1/20 | 0.50 |
| ▸ | CTRC | Q99895 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6310060 | 0.68 | CTRB1 (0.64) | CTRB1CTRCLMNASMN1; SMN2RAB9A | |
| SCHEMBL25959177 | 0.66 | MAPK10 (0.50) | LMNASMN1; SMN2RAB9AKDM4ENPC1 | |
| SCHEMBL26134973 | 0.64 | MAPT (0.56) | CTRB1CTRCLMNASMN1; SMN2RAB9A | |
| SCHEMBL23722678 | 0.62 | AURKA (0.45) | LMNASMN1; SMN2RAB9AKDM4EALDH1A1 | |
| SCHEMBL17110585 | 0.62 | APP (0.55) | CTRB1CTRCLMNASMN1; SMN2RAB9A | |
| SCHEMBL19851003 | 0.62 | CTRB1 (0.64) | CTRB1CTRCLMNARAB9AALDH1A1 | |
| SCHEMBL19690906 | 0.61 | RAB9A (0.36) | CTRB1CTRCLMNASMN1; SMN2RAB9A | |
| SCHEMBL4879515 | 0.61 | ABL1 (0.43) | LMNASMN1; SMN2RAB9AKDM4EALDH1A1 | |
| SCHEMBL19700449 | 0.60 | FGFR1 (0.38) | CTRB1CTRCLMNASMN1; SMN2RAB9A | |
| SCHEMBL28712020 | 0.60 | CYP1A1 (0.68) | CTRB1CTRCRAB9ANPC1MEN1 |
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-6887658-B2 | Methods of identifying non-specific inhibitors of biomolecules | NORTHWESTERN UNIVERSITY (US) | 2005-05-03 | — | — | US | disclosed |
| US-20040234942-A1 | METHODS OF IDENTIFYING NON-SPECIFIC INHIBITORS OF BIOMOLECULES | NORTHWESTERN UNIVERSITY | 2004-11-25 | — | — | US | disclosed |