Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 7/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6309534 | 0.81 | ESR1 (0.56) | ALDH1A1TRPA1TSHRESR1ESR2 | |
| SCHEMBL819626 | 0.81 | ESR1 (0.56) | ALDH1A1TRPA1TSHRESR1ESR2 | |
| SCHEMBL9127626 | 0.78 | ESR2 (0.56) | ALDH1A1TRPA1TSHRESR1ESR2 | |
| SCHEMBL3108222 | 0.77 | TSHR (0.59) | ALDH1A1TRPA1TSHRCES2CES1 | |
| SCHEMBL7711210 | 0.77 | ESR1 (0.44) | ALDH1A1TRPA1TSHRESR1ESR2 | |
| SCHEMBL7716670 | 0.72 | ESR2 (0.36) | ALDH1A1TRPA1TSHRESR1ESR2 | |
| Benzyl Bromide SCHEMBL28292772 | 0.72 | ALDH1A1 (0.74) | ALDH1A1TRPA1TSHRCES2CES1 | |
| SCHEMBL5972955 | 0.71 | TRPA1 (0.58) | ALDH1A1TRPA1TSHRESR1ESR2 | |
| SCHEMBL8102784 | 0.71 | TSHR (0.58) | ALDH1A1TRPA1TSHRESR1ESR2 | |
| Benzyl Bromide SCHEMBL28027277 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1490330-A2 | POLYMER BOUND DONOR-ACCEPTOR-DONOR COMPOUNDS AND THEIR USE IN A 3-DIMENSIONAL OPTICAL MEMORY | Mempile Inc. (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003070689-A2 | POLYMER BOUND DONOR-ACCEPTOR-DONOR COMPOUNDS AND THEIR USE IN A 3-DIMENSIONAL OPTICAL MEMORY | MEMPILE INC. (US) | 2003-08-28 | — | — | WO | disclosed |