Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6476247 | 0.82 | HTT (0.49) | TSHRKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL6476896 | 0.78 | SLC6A3 (0.39) | TSHRKMT2AALDH1A1HTTTAS1R3 | |
| SCHEMBL21400761 | 0.76 | IDO1 (0.49) | KMT2AMEN1ALDH1A1HTT | |
| SCHEMBL8735161 | 0.75 | IDO1 (0.49) | TSHRKMT2AMEN1 | |
| SCHEMBL12924867 | 0.74 | SLC6A3 (0.51) | TSHRKMT2AALDH1A1 | |
| SCHEMBL3397663 | 0.74 | HTT (0.48) | TSHRKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL21408996 | 0.74 | USP2 (0.50) | TSHRUSP2KMT2AMEN1ALDH1A1 | |
| SCHEMBL21408999 | 0.74 | USP2 (0.50) | TSHRUSP2KMT2AMEN1ALDH1A1 | |
| SCHEMBL9500102 | 0.73 | IDO1 (0.50) | KMT2AMEN1ALDH1A1HTT | |
| Hydrogen Peroxide SCHEMBL9456544 | 0.73 | IDO1 (0.46) | TSHRKMT2AMEN1ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996025426-A9 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | — | 1997-06-12 | — | — | WO | disclosed |
| WO-1996025426-A1 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-22 | — | — | WO | disclosed |