Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27845833 | 0.75 | SLC6A2 (0.50) | CYP2B6SLC6A3SLC6A2TAAR1SIGMAR1 | |
| SCHEMBL6174347 | 0.74 | CYP2B6 (0.47) | CYP2B6SLC6A3SLC6A2TAAR1SIGMAR1 | |
| SCHEMBL9834053 | 0.71 | CYP2B6 (0.45) | CYP2B6SLC6A2TAAR1SIGMAR1LMNA | |
| SCHEMBL20566811 | 0.70 | CYP2B6 (0.33) | CYP2B6 | |
| SCHEMBL5305394 | 0.69 | CYP2B6 (0.55) | CYP2B6SIGMAR1LMNACYP2D6 | |
| SCHEMBL11869541 | 0.69 | SMN1; SMN2 (0.47) | SLC6A3LMNAHPGDTSHRNPC1 | |
| SCHEMBL5302731 | 0.68 | CYP2B6 (0.58) | CYP2B6SLC6A3SLC6A2SIGMAR1LMNA | |
| SCHEMBL2707429 | 0.68 | CYP2B6 (0.58) | CYP2B6SIGMAR1LMNACYP2D6 | |
| SCHEMBL11870403 | 0.68 | SMN1; SMN2 (0.46) | CYP2B6SIGMAR1CYP2D6HPGDTSHR | |
| SCHEMBL9284776 | 0.68 | SIGMAR1 (0.41) | CYP2B6SLC6A3SIGMAR1LMNACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | disclosed |