Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.61 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.61 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.61 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.61 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | QPCT | Q16769 | 1/20 | 0.51 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31377271 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CYP3A4GABRA1TSHRNFKB1 | |
| SCHEMBL27475925 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CYP3A4GABRA1TSHRNFKB1 | |
| SCHEMBL6932429 | 0.82 | QPCT (0.57) | ALDH1A1CYP3A4GABRA1TSHRNFKB1 | |
| SCHEMBL1387582 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP3A4GABRA1TSHRNFKB1 | |
| Methyl Alcohol SCHEMBL11465646 | 0.79 | ALDH1A1 (0.68) | ALDH1A1CYP3A4GABRA1TSHRNFKB1 | |
| SCHEMBL890227 | 0.79 | — | — | |
| SCHEMBL8818280 | 0.78 | CYP3A4 (0.73) | ALDH1A1CYP3A4GABRA1TSHRNFKB1 | |
| SCHEMBL29902874 | 0.78 | ALDH1A1 (0.61) | ALDH1A1CYP3A4GABRA1TSHRNFKB1 | |
| Imidazole Acetic Acid SCHEMBL49 | 0.76 | — | — | |
| SCHEMBL8918572 | 0.76 | ALDH1A1 (0.63) | ALDH1A1CYP3A4GABRA1TSHRNFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2083816-A2 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008057775-A2 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |
| US-5811445-A | ANGIOTENSIN II INHIBITORS | ROUSSEL UCLAF (FR) | 1998-09-22 | — | — | US | disclosed |
| EP-0836383-A1 | COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1998-04-22 | — | — | EP | disclosed |