Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11444831 | 0.84 | CYP1A2 (0.48) | CPB2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7441124 | 0.79 | CPB2 (0.37) | CPB2ALDH1A1MAPTLMNAPTGS2 | |
| SCHEMBL7441128 | 0.79 | CPB2 (0.37) | CPB2ALDH1A1MAPTLMNAPTGS2 | |
| SCHEMBL10918805 | 0.79 | CPB2 (0.87) | CPB2MAPK1 | |
| SCHEMBL11336752 | 0.78 | CPB2 (0.56) | CPB2MME | |
| SCHEMBL9068564 | 0.77 | ALDH1A1 (0.44) | CPB2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11325221 | 0.76 | CPB2 (0.59) | CPB2ALDH1A1MAPTLMNAPTGS2 | |
| SCHEMBL11331433 | 0.76 | CPB2 (0.57) | CPB2MME | |
| SCHEMBL11444830 | 0.75 | CYP1A2 (0.47) | CPB2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11321753 | 0.74 | CPB2 (0.55) | CPB2ALDH1A1MAPTLMNAMME |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4284780-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1981-08-18 | — | — | US | disclosed |
| US-4284779-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1981-08-18 | — | — | US | disclosed |
| US-4179434-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1979-12-18 | — | — | US | disclosed |
| US-4177277-A | INHIBITION OF ANGIOTENSIN-CONVERTING ENZYME | E. R. SQUIBB & SONS, INC. (US) | 1979-12-04 | — | — | US | disclosed |
| US-4165320-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1979-08-21 | — | — | US | disclosed |
| US-4156786-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1979-05-29 | — | — | US | disclosed |
| US-4154946-A | Amino mercapto substituted acylamino acids | E. R. SQUIBB & SONS, INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4154960-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4146611-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1979-03-27 | — | — | US | disclosed |
| US-4129571-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1978-12-12 | — | — | US | disclosed |
| US-4113715-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1978-09-12 | — | — | US | disclosed |