Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL27879846 | 0.80 | RAB9A (0.46) | ALDH1A1GAASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL3846786 | 0.77 | KDM4E (0.47) | ALDH1A1GAASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL8131156 | 0.77 | PRKCH (0.43) | ALDH1A1GAASMN1; SMN2RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL28301442 | 0.76 | PRKCH (0.43) | ALDH1A1GAASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL10730331 | 0.74 | SYK (0.50) | — | |
| SCHEMBL8351429 | 0.73 | SYK (0.47) | — | |
| SCHEMBL3810001 | 0.73 | PRKCH (0.43) | ALDH1A1GAASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11389648 | 0.73 | ALDH1A1 (0.39) | ALDH1A1GAASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL9909388 | 0.72 | — | — | |
| SCHEMBL29661956 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1134412-C | N-substituted 2-cyanopyrodlidines | ��Ұ����ҩ��ʽ���� | 2004-01-14 | — | — | CN | disclosed |
| CN-1236361-A | N-substituted 2-cyanopyrrolidines | NOVARTIS AG (CH) | 1999-11-24 | — | — | CN | disclosed |
| EP-0937040-A2 | N-SUBSTITUTED 2-CYANOPYRROLIDINES | Novartis AG (CH) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998019998-A2 | N-SUBSTITUTED 2-CYANOPYRROLIDINES | NOVARTIS AG (CH) | 1998-05-14 | — | — | WO | disclosed |