Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 6/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL805996 | 0.82 | L3MBTL1 (0.42) | GABRA1GABRB2MEN1KMT2AALDH1A1 | |
| SCHEMBL249361 | 0.80 | ERN1 (0.33) | MEN1KMT2ALMNAALDH1A1L3MBTL1 | |
| SCHEMBL20503064 | 0.76 | CYP2A6 (0.41) | MEN1KMT2AKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL15901985 | 0.76 | ALDH1A1 (0.36) | MEN1KMT2AKDM4EHTTSMN1; SMN2 | |
| SCHEMBL15902473 | 0.76 | ALDH1A1 (0.39) | MEN1KMT2AALDH1A1L3MBTL1TDP1 | |
| SCHEMBL20503055 | 0.72 | RORC (0.40) | — | |
| SCHEMBL249020 | 0.72 | HTT (0.37) | GABRA1GABRB2MEN1KMT2AKDM4E | |
| SCHEMBL22126563 | 0.70 | NOTUM (0.36) | ALDH1A1PKML3MBTL1TDP1CASP3 | |
| SCHEMBL5736785 | 0.68 | ALDH1A1 (0.56) | MEN1KMT2AKDM4EHTTLMNA | |
| SCHEMBL30234384 | 0.68 | ALDH1A1 (0.56) | MEN1KMT2AKDM4EHTTLMNA |
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-2012001308-A9 | METHOD FOR SYNTHESIZING ERGOLINE ALKALOIDS FROM INDOLIC BICYCLIC COMPOUNDS BY DOUBLE CYCLIZATION, RESULTING MATERIALS, AND INTERMEDIATE MATERIALS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012001308-A1 | METHOD FOR SYNTHESIZING ERGOLINE ALKALOIDS FROM INDOLIC BICYCLIC COMPOUNDS BY DOUBLE CYCLIZATION, RESULTING MATERIALS, AND INTERMEDIATE MATERIALS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-01-05 | — | — | WO | disclosed |