Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11048232 | 0.78 | ALDH1A1 (0.43) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL11048273 | 0.77 | ALDH1A1 (0.54) | NPC1RAB9AKMT2ACYP1A2TSHR | |
| SCHEMBL28751342 | 0.77 | ALDH1A1 (0.46) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL7068115 | 0.76 | SLC1A3 (0.44) | MEN1KMT2ACYP1A2TSHRSGMS2 | |
| SCHEMBL9025351 | 0.73 | SLC1A3 (0.46) | MEN1KMT2ACYP1A2TSHRALDH1A1 | |
| SCHEMBL8467072 | 0.73 | SLC1A3 (0.46) | MEN1KMT2ACYP1A2TSHRALDH1A1 | |
| SCHEMBL11145783 | 0.71 | CYP1A2 (0.47) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL7573671 | 0.71 | CYP1A2 (0.52) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| Diphenylmethanol SCHEMBL27594775 | 0.71 | CYP1A2 (0.43) | MEN1KMT2ACYP1A2TSHRALDH1A1 | |
| SCHEMBL2557157 | 0.71 | CYP1A2 (0.50) | NPC1RAB9AMEN1KMT2ACYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4454337-A | Semicarbazide intermediates for preparing 4-substituted indoles | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-12 | — | — | US | claimed |
| US-4454337-A | Semicarbazide intermediates for preparing 4-substituted indoles | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-12 | — | — | US | disclosed |
| US-4394514-A | Processes for preparing 4-substituted indoles | SMITHKLINE BECKMAN CORPORATION (US) | 1983-07-19 | — | — | US | disclosed |