Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.44 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8778310 | 0.83 | KMT2A (0.58) | CYP1A2CYP2C19KMT2AMEN1RAB9A | |
| SCHEMBL28154983 | 0.74 | CYP1A2 (0.47) | CYP1A2HPGDCYP2C19KMT2AAVPR2 | |
| SCHEMBL16088827 | 0.73 | HTT (0.61) | CYP1A2HPGDCYP2C19KMT2AAVPR2 | |
| SCHEMBL16088601 | 0.72 | KMT2A (0.51) | CYP1A2HPGDCYP2C19KMT2AMEN1 | |
| SCHEMBL6172505 | 0.71 | RAB9A (0.47) | CYP2C19KMT2AMEN1RAB9ATRPM4 | |
| SCHEMBL30643213 | 0.70 | SMN1; SMN2 (0.53) | CYP1A2HPGDCYP2C19KMT2ARAB9A | |
| SCHEMBL9694082 | 0.70 | VCAM1 (0.41) | KMT2ARAB9AMAPTLMNA | |
| SCHEMBL23864300 | 0.70 | KMT2A (0.47) | CYP1A2HPGDCYP2C19KMT2AMEN1 | |
| SCHEMBL21055974 | 0.67 | SMO (0.61) | KMT2AMEN1AVPR2GPR27ACLY | |
| SCHEMBL30819065 | 0.66 | PPARG (0.51) | AVPR2GPR27ALDH1A1MAPTLMNA |
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-5089486-A | Fungicides | SHELL RESEARCH LIMITED (GB) | 1992-02-18 | — | — | US | disclosed |
| EP-0411719-A1 | Biocidal compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-02-06 | — | — | EP | disclosed |