Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL903083 | 0.86 | CYP2C9 (0.36) | HPGDKMT2AHSD17B10MEN1USP2 | |
| SCHEMBL903112 | 0.77 | TSHR (0.32) | ALDH1A1KMT2AMEN1POLBTSHR | |
| SCHEMBL12021938 | 0.71 | SMN1; SMN2 (0.34) | ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL903086 | 0.69 | LMNA (0.34) | ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL903056 | 0.68 | — | — | |
| SCHEMBL470313 | 0.68 | — | — | |
| SCHEMBL10082089 | 0.68 | KDM4E (0.31) | HPGDKDM4E | |
| SCHEMBL903040 | 0.68 | NPC1 (0.30) | — | |
| SCHEMBL903089 | 0.66 | GAA (0.34) | ALDH1A1LMNAKDM4EKMT2AHSD17B10 | |
| SCHEMBL23062876 | 0.65 | BRD4 (0.40) | ALDH1A1LMNASMN1; SMN2KMT2AMEN1 |
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-2012044531-A1 | NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |