Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.58 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | TOP2A | P11388 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.49 |
| ▸ | RET | P07949 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28181478 | 1.00 | AKR1C3 (0.58) | AKR1C3AKR1C2KMT2ATOP2ATHRB | |
| SCHEMBL10389632 | 0.99 | AKR1C3 (0.59) | AKR1C3AKR1C2KMT2ATOP2ATHRB | |
| SCHEMBL10389633 | 0.99 | AKR1C3 (0.59) | AKR1C3AKR1C2KMT2ATOP2ATHRB | |
| SCHEMBL10388893 | 0.94 | THRB (0.55) | AKR1C3AKR1C2KMT2ATOP2ATHRB | |
| SCHEMBL10388894 | 0.94 | THRB (0.55) | AKR1C3AKR1C2KMT2ATOP2ATHRB | |
| SCHEMBL5072562 | 0.93 | KMT2A (0.63) | AKR1C3AKR1C2KMT2ATHRBATM | |
| SCHEMBL5070917 | 0.93 | KMT2A (0.63) | AKR1C3AKR1C2KMT2ATHRBATM | |
| SCHEMBL3169519 | 0.91 | KMT2A (0.65) | AKR1C3AKR1C2KMT2ATHRBATM | |
| SCHEMBL3169514 | 0.91 | KMT2A (0.65) | AKR1C3AKR1C2KMT2ATHRBATM | |
| SCHEMBL3614708 | 0.88 | THRB (0.58) | AKR1C3AKR1C2KMT2ATHRBATM |
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 |
|---|---|---|---|---|---|---|---|
| CN-113402392-A | P-coumaric acid ester and synthetic method and application thereof | 华南理工大学 | 2021-09-17 | — | — | CN | disclosed |