Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MYC | P01106 | 1/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | HNF4A | P41235 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 3/20 | 0.40 |
| ▸ | PTPRG | P23470 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | PYGL | P06737 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10411960 | 0.85 | TSHR (0.38) | TSHRCASP1SMN1; SMN2AKR1C2AKR1C1 | |
| SCHEMBL22032230 | 0.82 | TSHR (0.50) | TSHRCASP1SMN1; SMN2AKR1C2AKR1C1 | |
| SCHEMBL5144789 | 0.82 | HNF4A (0.52) | TSHRCASP1SMN1; SMN2AKR1C2AKR1C1 | |
| SCHEMBL3584639 | 0.81 | TSHR (0.49) | TSHRCASP1SMN1; SMN2AKR1C2AKR1C1 | |
| SCHEMBL28869089 | 0.81 | TSHR (0.57) | TSHRCASP1SMN1; SMN2AKR1C2AKR1C1 | |
| SCHEMBL508503 | 0.81 | TSHR (0.57) | TSHRCASP1SMN1; SMN2AKR1C2AKR1C1 | |
| SCHEMBL3581884 | 0.80 | TSHR (0.47) | TSHRCASP1SMN1; SMN2AKR1C2AKR1C1 | |
| SCHEMBL10411246 | 0.79 | ABL1 (0.46) | CASP1SMN1; SMN2ALDH1A1PYGLCYP1A2 | |
| SCHEMBL10412431 | 0.79 | ALDH1A1 (0.42) | TSHRCASP1SMN1; SMN2ALDH1A1PYGL | |
| SCHEMBL15524796 | 0.78 | ALDH1A1 (0.55) | TSHRSMN1; SMN2ALDH1A1MYCHNF4A |
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-4895975-A | Diacetylene compound and process for production of polymer containing diacetylene groups from the diacetylene compound | KOZO IIZUKA, DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1990-01-23 | — | — | US | claimed |
| US-4895975-A | Diacetylene compound and process for production of polymer containing diacetylene groups from the diacetylene compound | KOZO IIZUKA, DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1990-01-23 | — | — | US | disclosed |