Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CES2 | O00748 | 3/20 | 0.32 |
| ▸ | CES1 | P23141 | 3/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL118540 | 0.97 | TSHR (0.40) | TSHRDAONAPRTCA4CA14 | |
| SCHEMBL4631055 | 0.93 | TSHR (0.38) | TSHRDAONAPRTCA4CA14 | |
| SCHEMBL6669960 | 0.93 | TSHR (0.38) | TSHRDAONAPRTCA4CA14 | |
| SCHEMBL5596457 | 0.81 | ALDH1A1 (0.34) | TSHRDAONAPRTTDP1ALDH1A1 | |
| SCHEMBL3481591 | 0.81 | ACHE (0.48) | TSHRTDP1ALDH1A1CES2CES1 | |
| SCHEMBL5596520 | 0.77 | TP53 (0.33) | TSHRALDH1A1CES2CES1PCSK9 | |
| Phosphoric Acid SCHEMBL28124675 | 0.77 | CA2 (0.36) | TSHRDAONAPRTCA4CA2 | |
| SCHEMBL3481666 | 0.77 | ACHE (0.38) | TSHRALDH1A1CES2CES1LMNA | |
| SCHEMBL2783701 | 0.76 | — | — | |
| SCHEMBL3481968 | 0.75 | TP53 (0.54) | ALDH1A1KDM4ENPC1POLBRAB9A |
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-5106959-A | Intermediates for ceramics, gels, films, optical fibers, polymerization catalysts and silicone curing agents | RHONE-POULENC, INC. (US) | 1992-04-21 | — | — | US | disclosed |
| US-5017695-A | With cerium ammonium nitrate and silanol-type compound | RHONE-POULENC, INC. (US) | 1991-05-21 | — | — | US | disclosed |