Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.71 |
| ▸ | MMP9 | P14780 | 1/20 | 0.71 |
| ▸ | MMP8 | P22894 | 1/20 | 0.71 |
| ▸ | MMP13 | P45452 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 3/20 | 0.62 |
| ▸ | EGFR | P00533 | 1/20 | 0.61 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.61 |
| ▸ | KDR | P35968 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | XBP1 | P17861 | 1/20 | 0.59 |
| ▸ | MGLL | Q99685 | 8/20 | 0.59 |
| ▸ | NAMPT | P43490 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL31278589 | 0.83 | MMP2 (0.65) | MMP2MMP9MMP8MMP13TP53 | |
| SCHEMBL1987139 | 0.83 | MMP2 (1.00) | MMP2MMP9MMP8MMP13TP53 | |
| SCHEMBL31278116 | 0.82 | MMP2 (0.64) | MMP2MMP9MMP8MMP13TP53 | |
| SCHEMBL20379246 | 0.81 | MMP2 (0.78) | MMP2MMP9MMP8MMP13TP53 | |
| 2-Phenylbenzo[D]Thiazole SCHEMBL990071 | 0.81 | KDM4E (0.57) | MMP2MMP9MMP8MMP13TP53 | |
| SCHEMBL29636830 | 0.80 | RAB9A (0.74) | MMP2MMP9MMP8MMP13TP53 | |
| SCHEMBL7105704 | 0.80 | RAB9A (0.74) | MMP2MMP9MMP8MMP13TP53 | |
| SCHEMBL12963195 | 0.80 | MMP2 (0.71) | MMP2MMP9MMP8MMP13TP53 | |
| SCHEMBL28734073 | 0.80 | HPGD (0.73) | TP53KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL27452150 | 0.80 | RAB9A (0.65) | MMP2MMP9MMP8MMP13TP53 |
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-2024246946-A1 | NOVEL PYRIDINE CARBOXAMIDE COMPOUNDS WITH ANTI-TUBERCULAR ACTIVITY | TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) | 2024-12-05 | — | — | WO | claimed |
| WO-2024246946-A1 | NOVEL PYRIDINE CARBOXAMIDE COMPOUNDS WITH ANTI-TUBERCULAR ACTIVITY | TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) | 2024-12-05 | — | — | WO | disclosed |