Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CRHBP | P24387 | 1/20 | 0.57 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.57 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | BRAF | P15056 | 1/20 | 0.53 |
| ▸ | DHFR | P00374 | 1/20 | 0.52 |
| ▸ | RAF1 | P04049 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL260606 | 0.95 | KMT2A (0.64) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL1978668 | 0.86 | TSHR (0.75) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 | 0.84 | VCAM1 (0.77) | KMT2AALDH1A1MAPTVCAM1LMNA | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 | 0.84 | VCAM1 (0.77) | KMT2AALDH1A1MAPTVCAM1LMNA | |
| SCHEMBL13497805 | 0.83 | KMT2A (0.61) | KMT2AALDH1A1MAPTRAB9ANPC1 | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL8028245 | 0.83 | VCAM1 (0.74) | KMT2AALDH1A1MAPTVCAM1LMNA | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL10608939 | 0.83 | VCAM1 (0.74) | KMT2AALDH1A1MAPTVCAM1LMNA | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL10608947 | 0.83 | VCAM1 (0.74) | KMT2AALDH1A1MAPTVCAM1LMNA | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL28165768 | 0.83 | VCAM1 (0.74) | KMT2AALDH1A1MAPTVCAM1LMNA | |
| SCHEMBL7941824 | 0.82 | KMT2A (0.62) | KMT2AALDH1A1MAPTRAB9ANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1162196-A1 | FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS | JAPAN TOBACCO INC. (JP) | 2001-12-12 | — | — | EP | disclosed |