Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL12815898 | 0.90 | BCL2 (0.38) | CALM1IDH1KDM4EALDH1A1HPGD | |
| SCHEMBL12817536 | 0.81 | CALM1 (0.39) | HTR1DHTR1BCALM1IDH1KDM4E | |
| SCHEMBL12816698 | 0.79 | IDH1 (0.37) | HTR1DHTR1BCALM1IDH1KDM4E | |
| SCHEMBL12815566 | 0.79 | CTRC (0.40) | CALM1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL7819859 | 0.78 | CALM1 (0.48) | HTR1DHTR1BCALM1IDH1KDM4E | |
| SCHEMBL8100218 | 0.78 | CALM1 (0.55) | CALM1IDH1NQO1THRATHRB | |
| SCHEMBL12816258 | 0.78 | HTR1D (0.38) | HTR1DHTR1BKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL12816408 | 0.78 | TAAR1 (0.39) | HTR1DIDH1 | |
| SCHEMBL12816068 | 0.78 | BCL2 (0.42) | CALM1HPGDSMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL12815667 | 0.77 | TP53 (0.37) | HTR1DHTR1BCALM1IDH1NQO1 |
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 |