Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 10/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP7 | P09237 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL21980327 | 0.87 | ALDH1A1 (0.51) | HSD11B1ALDH1A1RECQLHSD17B10KMT2A | |
| SCHEMBL3182773 | 0.83 | HSD11B1 (0.53) | HSD11B1ALDH1A1POLBTP53HTT | |
| SCHEMBL5080063 | 0.80 | HSD11B1 (0.58) | HSD11B1ALDH1A1RECQLPOLBTP53 | |
| SCHEMBL28873529 | 0.78 | HSD11B1 (0.51) | HSD11B1ALDH1A1RECQLNPC1RAB9A | |
| SCHEMBL5491920 | 0.77 | HSD11B1 (0.56) | HSD11B1ALDH1A1POLBTP53HTT | |
| SCHEMBL28297415 | 0.76 | KMT2A (0.48) | HSD11B1ALDH1A1MMP2MMP7MMP14 | |
| SCHEMBL4976027 | 0.74 | CES1 (0.44) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL1173631 | 0.73 | CA12 (0.32) | — | |
| SCHEMBL194095 | 0.73 | HSD11B1 (0.53) | HSD11B1ALDH1A1RECQLNPC1RAB9A | |
| SCHEMBL14927255 | 0.72 | HSD11B1 (0.53) | HSD11B1ALDH1A1RECQLNPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776324-A | Homoallyltrifluoromethyl compound and preparation method thereof | 南京工业大学 | 2019-05-21 | — | — | CN | claimed |
| CN-112645895-B | Isoxazoline derivative with olefin side chain and synthesis method thereof | 浙江工业大学 | 2022-07-26 | — | — | CN | disclosed |
| CN-109776324-B | Homoallyltrifluoromethyl compound and preparation method thereof | 南京工业大学 | 2021-09-03 | — | — | CN | disclosed |
| CN-112645895-A | Isoxazoline derivative with olefin side chain and synthesis method thereof | 浙江工业大学 | 2021-04-13 | — | — | CN | disclosed |
| CN-109776324-A | Homoallyltrifluoromethyl compound and preparation method thereof | 南京工业大学 | 2019-05-21 | — | — | CN | disclosed |