Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.57 |
| ▸ | CA1 | P00915 | 3/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.57 |
| ▸ | CA3 | P07451 | 1/20 | 0.57 |
| ▸ | TYR | P14679 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | CA6 | P23280 | 1/20 | 0.57 |
| ▸ | CA5A | P35218 | 1/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.57 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL27990724 | 0.93 | TSHR (0.50) | CA2CA1CA12CA7CA9 | |
| Terephthalic Acid SCHEMBL28065968 | 0.91 | TSHR (0.48) | CA2CA1CA12CA7CA9 | |
| Terephthalic Acid SCHEMBL28044877 | 0.91 | TSHR (0.48) | CA2CA1CA12CA7CA9 | |
| Terephthalic Acid SCHEMBL28013542 | 0.91 | TSHR (0.48) | CA2CA1CA12CA7CA9 | |
| Terephthalic Acid SCHEMBL28005997 | 0.91 | TSHR (0.48) | CA2CA1CA12CA7CA9 | |
| Terephthalic Acid SCHEMBL28600607 | 0.86 | TSHR (0.43) | CA2CA1CA12CA7CA9 | |
| Benzoic Acid SCHEMBL17495601 | 0.85 | NAPRT (0.54) | SRD5A2TSHRTP53KDM4EALDH1A1 | |
| Terephthalic Acid SCHEMBL27990425 | 0.83 | TSHR (0.42) | SRD5A2TSHRTP53KDM4EALDH1A1 | |
| Terephthalic Acid SCHEMBL28067237 | 0.81 | TSHR (0.45) | SRD5A2TSHRTP53KDM4EALDH1A1 | |
| SCHEMBL28054671 | 0.81 | KDM4E (0.49) | CA2CA1CA12CA7CA9 |
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-7226545-B2 | Isocynate composition comprising a masked isocyanate and a nonmasked and their use in a coating | RHODIA CHIMIE (FR) | 2007-06-05 | — | — | US | disclosed |
| US-20040097686-A1 | Isocyanate composition comprising a masked isocyanate and a nonmasked and their use in a coating | BERNARD JEAN-MARIE (FR) | 2004-05-20 | — | — | US | disclosed |