Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11225918 | 0.83 | FBP1 (0.43) | ALOX15ALOX12ALDH1A1TDP1PDK1 | |
| SCHEMBL26168090 | 0.73 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1POLB | |
| SCHEMBL10496972 | 0.73 | ALOX15 (0.33) | ALOX15ALOX12ALDH1A1TDP1VCAM1 | |
| SCHEMBL27691535 | 0.72 | TDP1 (0.42) | ALOX15ALOX12ALDH1A1TDP1PDK1 | |
| SCHEMBL27513266 | 0.70 | ALDH1A1 (0.45) | ALOX15ALOX12ALDH1A1PDK1VCAM1 | |
| SCHEMBL11229564 | 0.69 | PDK1 (0.50) | ALOX15ALOX12ALDH1A1TDP1PDK1 | |
| SCHEMBL26168070 | 0.68 | ALDH1A1 (0.50) | ALDH1A1POLB | |
| SCHEMBL11689602 | 0.68 | TSHR (0.50) | ALDH1A1TDP1VCAM1MAPTCYP2C9 | |
| SCHEMBL10348050 | 0.66 | PDK1 (0.49) | ALOX15ALOX12ALDH1A1TDP1PDK1 | |
| SCHEMBL16951899 | 0.65 | ALDH1A1 (0.39) | ALOX15ALOX12ALDH1A1TDP1PDK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4016214-A | Preparation of ethynylbenzenes | WILLIAM H. RORER, INC. (US) | 1977-04-05 | — | — | US | disclosed |
| US-3952067-A | Ethynylbenzenes | WILLIAM H. RORER, INC. (US) | 1976-04-20 | — | — | US | disclosed |