Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.55 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL29664474 | 0.84 | ESR1 (0.58) | ESR1ESR2PDE10ATDP1ALDH1A1 | |
| SCHEMBL17508352 | 0.82 | TDP1 (0.50) | ESR1ESR2PDE10ATDP1ALDH1A1 | |
| SCHEMBL28265821 | 0.81 | ESR1 (0.57) | ESR1ESR2PDE10ATDP1ALDH1A1 | |
| SCHEMBL28861333 | 0.78 | ESR1 (0.57) | ESR1ESR2PDE10ATDP1ALDH1A1 | |
| SCHEMBL29058840 | 0.76 | ESR1 (0.69) | ESR1ESR2TDP1ALDH1A1HPGD | |
| SCHEMBL30555476 | 0.76 | ESR1 (0.69) | ESR1ESR2TDP1ALDH1A1HPGD | |
| SCHEMBL28441223 | 0.74 | ESR1 (0.62) | ESR1ESR2PDE10ATDP1ALDH1A1 | |
| SCHEMBL28178474 | 0.73 | ESR1 (0.60) | ESR1ESR2PDE10ATDP1ALDH1A1 | |
| SCHEMBL196020 | 0.72 | ESR1 (0.59) | ESR1ESR2PDE10ATDP1ALDH1A1 | |
| SCHEMBL27956650 | 0.72 | ESR1 (1.00) | ESR1ESR2TDP1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6630481-B2 | Phototherapeutic and catalytic photoactivated DNA cleaving agents | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH OF INDIA (IN) | 2003-10-07 | — | — | US | claimed |