Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.74 |
| ▸ | CES1 | P23141 | 1/20 | 0.74 |
| ▸ | PARP1 | P09874 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 5/20 | 0.68 |
| ▸ | NPC1 | O15118 | 4/20 | 0.68 |
| ▸ | MITF | O75030 | 1/20 | 0.68 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.66 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.58 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL29351426 | 1.00 | CES2 (0.74) | CES2CES1PARP1RAB9ANPC1 | |
| SCHEMBL63427 | 1.00 | CES2 (0.74) | CES2CES1PARP1RAB9ANPC1 | |
| SCHEMBL10403563 | 0.98 | CES2 (0.71) | CES2CES1PARP1RAB9ANPC1 | |
| Water SCHEMBL27893543 | 0.98 | CES2 (0.71) | CES2CES1PARP1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL30142542 | 0.98 | CES2 (0.71) | CES2CES1PARP1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL5773812 | 0.98 | CES2 (0.71) | CES2CES1PARP1RAB9ANPC1 | |
| SCHEMBL1448094 | 0.98 | CES2 (0.71) | CES2CES1PARP1RAB9ANPC1 | |
| Acetic Acid SCHEMBL6440401 | 0.96 | CES2 (0.69) | CES2CES1PARP1RAB9ANPC1 | |
| Formaldehyde SCHEMBL11142552 | 0.96 | CES2 (0.69) | CES2CES1PARP1RAB9ANPC1 | |
| Carbamic Acid SCHEMBL2146141 | 0.93 | PARP1 (0.71) | CES2CES1PARP1RAB9ANPC1 |
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-2004069774-A2 | SYNTHESIS OF 13C-LABELLED ESTROGEN ANALOGUES | THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) | 2004-08-19 | — | — | WO | disclosed |