Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8002389 | 0.84 | BCAT2 (0.50) | TSHRLMNACYP1A2KMT2AITGAV | |
| SCHEMBL6250243 | 0.84 | BCAT2 (0.50) | TSHRLMNACYP1A2KMT2AITGAV | |
| SCHEMBL5724579 | 0.77 | TSHR (0.68) | TSHRSMN1; SMN2CA12CA9CYP1A2 | |
| SCHEMBL16648438 | 0.77 | SMN1; SMN2 (0.49) | TSHRSMN1; SMN2CA12CA9LMNA | |
| SCHEMBL8719450 | 0.75 | PSIP1 (0.49) | TSHRSMN1; SMN2LMNACYP1A2MAPT | |
| SCHEMBL8719455 | 0.75 | PSIP1 (0.49) | TSHRSMN1; SMN2LMNACYP1A2MAPT | |
| SCHEMBL29113953 | 0.72 | CES1 (0.50) | TSHRSMN1; SMN2CA12CA9LMNA | |
| SCHEMBL14590999 | 0.72 | CES1 (0.50) | TSHRSMN1; SMN2CA12CA9LMNA | |
| SCHEMBL16833730 | 0.72 | SMN1; SMN2 (0.47) | TSHRSMN1; SMN2CA12CA9CYP1A2 | |
| SCHEMBL365842 | 0.72 | TSHR (0.47) | TSHRSMN1; SMN2CA12CA9LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5733909-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT | MERCK FROSST CANADA, INC. (CA) | 1998-03-31 | — | — | US | disclosed |