Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11031403 | 1.00 | TSHR (0.44) | TSHRDAONAPRTCA2CA4 | |
| SCHEMBL3890201 | 0.80 | ALDH1A1 (0.48) | TSHRMEN1KMT2ACES2CES1 | |
| SCHEMBL10959063 | 0.80 | TSHR (0.42) | TSHRDAONAPRTCA2CA4 | |
| SCHEMBL1579379 | 0.78 | AKR1C1 (0.48) | TSHRDAONAPRTCA2CA4 | |
| SCHEMBL9001674 | 0.78 | AKR1C1 (0.48) | TSHRDAONAPRTCA2CA4 | |
| SCHEMBL3881636 | 0.78 | HDAC8 (0.50) | MEN1KMT2AALDH1A1TDP1HDAC8 | |
| SCHEMBL28412786 | 0.75 | CA1 (0.53) | CA2ALOX15CES2CES1ALDH1A1 | |
| SCHEMBL3884832 | 0.72 | HPGD (0.43) | ALDH1A1HSD17B10KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL777030 | 0.71 | GAA (0.48) | MEN1KMT2AALOX15CES2CES1 | |
| SCHEMBL777031 | 0.71 | GAA (0.48) | MEN1KMT2AALOX15CES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0068350-B1 | PROCESS FOR PREPARING DERIVATIVES OF VINYL PHOSPHONIC OR VINYL PYROPHOSPHONIC ACIDS | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-08-07 | — | — | EP | disclosed |
| US-4486357-A | Process for making vinylphosphonic acid or vinylpyrophosphonic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-12-04 | — | — | US | disclosed |
| EP-0068350-A1 | Process for preparing derivatives of vinyl phosphonic or vinyl pyrophosphonic acids | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-01-05 | — | — | EP | disclosed |