Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.52 |
| ▸ | CPA1 | P15085 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | CPA3 | P15088 | 3/20 | 0.51 |
| ▸ | CPB1 | P15086 | 1/20 | 0.51 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.49 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11129057 | 1.00 | TSHR (0.59) | TSHRCYP1A2KMOCPA1KMT2A | |
| SCHEMBL11239071 | 1.00 | TSHR (0.59) | TSHRCYP1A2KMOCPA1KMT2A | |
| SCHEMBL7315538 | 0.86 | TSHR (0.75) | TSHRCYP1A2KMOCPA1KMT2A | |
| SCHEMBL3104186 | 0.86 | TSHR (0.75) | TSHRCYP1A2KMOCPA1KMT2A | |
| SCHEMBL7540835 | 0.84 | CPA1 (0.72) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL11239068 | 0.83 | TSHR (0.59) | TSHRCYP1A2KMOCPA1KMT2A | |
| SCHEMBL11129056 | 0.83 | TSHR (0.59) | TSHRCYP1A2KMOCPA1KMT2A | |
| SCHEMBL6161256 | 0.82 | KMT2A (0.49) | TSHRCYP1A2KMT2AMEN1NPC1 | |
| SCHEMBL6154517 | 0.81 | CYP1A2 (0.55) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL21758201 | 0.81 | CYP1A2 (0.55) | CYP1A2CPA1CPA3CPB1CPB2 |
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-4329495-A | USEFUL AS ANALGESICS OR ANTICONVULSANTS, CHIRAL 2-(2-BENZYL-3-MERCAPTOPROPIONYLAMINO)-THIOBUTYRIC ACIDS, OR ALKANOL DERIVATIVES | PFIZER INC. (US) | 1982-05-11 | — | — | US | disclosed |