Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 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 | |
|---|---|---|---|---|
| SCHEMBL11117702 | 0.82 | AMY1A (0.59) | GAACYP1A2CYP3A4CYP2C19AMY1A | |
| SCHEMBL5252725 | 0.82 | TAAR1 (0.60) | GAATAAR1CYP1A2CYP2A6NPC1 | |
| SCHEMBL982672 | 0.82 | GAA (0.47) | GAATAAR1CYP1A2CYP2A6CYP3A4 | |
| SCHEMBL8094710 | 0.82 | TAAR1 (0.47) | GAATAAR1CYP1A2CYP2A6ACHE | |
| SCHEMBL8086482 | 0.81 | TAAR1 (0.50) | GAATAAR1CYP3A4CYP2D6TSHR | |
| SCHEMBL5551682 | 0.80 | TAAR1 (0.54) | GAATAAR1CYP3A4CYP2D6TSHR | |
| SCHEMBL1276089 | 0.79 | CYP3A4 (0.57) | GAATAAR1CYP3A4CYP2D6TSHR | |
| SCHEMBL31158270 | 0.78 | TAAR1 (0.52) | GAATAAR1CYP3A4CYP2D6TSHR | |
| SCHEMBL10675819 | 0.78 | TAAR1 (0.52) | GAATAAR1CYP3A4CYP2D6TSHR | |
| SCHEMBL8086373 | 0.78 | TAAR1 (0.48) | TAAR1ACHETSHRHTR1DALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |