Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9506107 | 1.00 | TSHR (0.54) | TSHRDAONAPRTCES2CES1 | |
| SCHEMBL1226475 | 0.88 | MTNR1A (0.52) | CES2CES1MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL14288471 | 0.82 | TBXAS1 (0.48) | TSHRDAONAPRTMTNR1AMTNR1B | |
| SCHEMBL11248995 | 0.81 | CYP3A4 (0.48) | MTNR1AMTNR1BALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL11249008 | 0.81 | CYP3A4 (0.48) | MTNR1AMTNR1BALDH1A1HPGDSMN1; SMN2 | |
| Benzoic Acid SCHEMBL28386505 | 0.79 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28693411 | 0.79 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2400344 | 0.79 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9705228 | 0.79 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28601772 | 0.79 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 |
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-0161939-B1 | ARYLHYDROXAMATES | E.R. Squibb & Sons, Inc. (US) | 1993-07-21 | — | — | EP | disclosed |
| US-4757078-A | Antiinflammatory agents, psoriasis | E. R. SQUIBB & SONS, INC. (US) | 1988-07-12 | — | — | US | disclosed |
| US-4607053-A | L2POXYGENASE INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1986-08-19 | — | — | US | disclosed |