Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.34 |
| ▸ | BHMT | Q93088 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | UBE2N | P61088 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 2/20 | 0.31 |
| ▸ | METAP1 | P53582 | 2/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18951816 | 0.79 | TSHR (0.35) | SPHK1GMNNPOLBBLMTP53 | |
| SCHEMBL14137263 | 0.79 | OPRM1 (0.54) | SPHK1BHMTTP53METAP2METAP1 | |
| SCHEMBL2549508 | 0.78 | CYP2D6 (0.34) | SPHK1BHMTCYP2D6GMNNLMNA | |
| SCHEMBL1158177 | 0.75 | BHMT (0.56) | BHMTNOS3NOS1NOS2 | |
| SCHEMBL259840 | 0.75 | — | — | |
| SCHEMBL1217342 | 0.75 | — | — | |
| SCHEMBL13374806 | 0.75 | — | — | |
| SCHEMBL12361645 | 0.73 | LMNA (0.38) | LMNA | |
| SCHEMBL18468501 | 0.73 | — | — | |
| SCHEMBL13374802 | 0.73 | — | — |
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 |