Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.42 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL17207259 | 1.00 | RAB9A (0.42) | RAB9ANPC1TNFNOD1PIK3C3 | |
| SCHEMBL24453154 | 0.79 | PRKCI (0.41) | RAB9ANPC1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL22601565 | 0.78 | CA1 (0.48) | RAB9ANPC1SMN1; SMN2LMNAHTT | |
| SCHEMBL17688866 | 0.78 | HSD17B10 (0.49) | RAB9ANPC1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL22221305 | 0.72 | ALDH1A1 (0.56) | RAB9ANPC1PIK3C3MAPTALDH1A1 | |
| SCHEMBL7163455 | 0.72 | RAB9A (0.63) | RAB9ANPC1TNFNOD1MAPT | |
| SCHEMBL18929911 | 0.71 | KDM4E (0.44) | RAB9ANPC1TNFNOD1PIK3C3 | |
| SCHEMBL21399967 | 0.70 | LMNA (0.54) | RAB9ANPC1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL13233450 | 0.69 | ALDH1A1 (0.47) | RAB9ANPC1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL10145034 | 0.69 | RAB9A (0.51) | RAB9ANPC1TNFNOD1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023134582-A1 | PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF | 上海立森印迹医药技术有限公司 | 2023-07-20 | — | — | WO | disclosed |
| CN-116444488-A | Pyrimidine-2, 4-diamine derivative and preparation method and application thereof | 上海立森印迹医药技术有限公司 | 2023-07-18 | — | — | CN | disclosed |