Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.37 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12817536 | 0.89 | CALM1 (0.39) | IDH1CALM1ADCY10NQO1HTR1D | |
| SCHEMBL12816108 | 0.82 | IDH1 (0.42) | IDH1CALM1ADCY10HPGDALDH1A1 | |
| SCHEMBL12816503 | 0.82 | BCL2 (0.37) | IDH1ADCY10NQO1HPGDKDM4E | |
| SCHEMBL12815911 | 0.80 | CALM1 (0.46) | IDH1CALM1HPGDKDM4EALDH1A1 | |
| SCHEMBL12816356 | 0.79 | BCL2 (0.37) | IDH1ADCY10NQO1HPGDKDM4E | |
| SCHEMBL12816993 | 0.79 | BCL2 (0.37) | IDH1ADCY10NQO1HTR1DHTR1B | |
| SCHEMBL12815582 | 0.79 | ADCY10 (0.37) | IDH1ADCY10NQO1HTR1DHTR1B | |
| SCHEMBL12815239 | 0.79 | HTR1D (0.40) | IDH1CALM1NQO1HTR1DHTR1B | |
| SCHEMBL12815758 | 0.78 | IDH1 (0.36) | IDH1CALM1ADCY10NQO1HTR1D | |
| SCHEMBL12815951 | 0.78 | SMN1; SMN2 (0.38) | IDH1CALM1NQO1HPGDMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012133935-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-10-04 | — | — | WO | disclosed |