Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | PTPRC | P08575 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6427922 | 0.70 | MEN1 (0.38) | KDM4EHSD17B10MEN1ALDH1A1LMNA | |
| SCHEMBL5531635 | 0.69 | TNKS2 (0.36) | KDM4EHSD17B10MEN1ALDH1A1LMNA | |
| SCHEMBL6302024 | 0.68 | KDM1A (0.36) | CYP19A1 | |
| SCHEMBL19594499 | 0.65 | — | — | |
| SCHEMBL9185310 | 0.64 | — | — | |
| SCHEMBL5241108 | 0.64 | — | — | |
| SCHEMBL21539909 | 0.62 | — | — | |
| SCHEMBL22135241 | 0.62 | — | — | |
| SCHEMBL342296 | 0.62 | ANPEP (0.38) | MAOBACHE | |
| SCHEMBL9211824 | 0.62 | CYP19A1 (0.35) | S100A4MAOBKDM4EHSD17B10ADORA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3988342-A | TRANQUILIZERS | MERCK & CO., INC. (US) | 1976-10-26 | — | — | US | disclosed |
| US-3981876-A | ANTIHISTAMINES, APPETITE STIMULANTS | MERCK & CO., INC. (US) | 1976-09-21 | — | — | US | disclosed |
| US-3968115-A | OR 11)-BROMO-10,11-DIHYDRO-5H-DIBENZO(A,D)-CYCLOHEPTEN-5-YLIDENE PIPERIDINE COMPOUNDSANTIHISTAMINE, APPETITE STIMULANT | MERCK & CO., INC. (US) | 1976-07-06 | — | — | US | disclosed |
| US-3960872-A | ANTIHISTAMINES, APPETITE STIMULANT | MERCK & CO., INC. (US) | 1976-06-01 | — | — | US | disclosed |