Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | LTK | P29376 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | MST1R | Q04912 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28080111 | 0.98 | KDM4E (0.49) | KDM4ERAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL12980112 | 0.82 | ALDH1A1 (0.41) | KDM4ERAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL3626478 | 0.81 | RAB9A (0.61) | KDM4ERAB9ASMN1; SMN2ALDH1A1TDP1 | |
| Hydrogen Sulfide SCHEMBL28276156 | 0.79 | RAB9A (0.59) | KDM4ERAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL27668864 | 0.78 | LTA4H (0.42) | KDM4ERAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL27684614 | 0.78 | TMIGD3 (0.46) | KDM4ERAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL10848388 | 0.78 | ALDH1A1 (0.50) | KDM4ERAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL28746780 | 0.78 | TSHR (0.48) | KDM4ERAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL30424072 | 0.78 | LTA4H (0.42) | KDM4ERAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL29016787 | 0.77 | PDCD1 (0.46) | KDM4ERAB9ASMN1; SMN2ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5318989-A | Antitumor and -carcinogenic agents; antibiotics; aglycones of esperamycins and calichemicins and having the same mechanism of bioactivity | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0538898-A2 | Cytotoxic bicyclo (7.3.1)-tridec-4-ene-2,6-diyne compounds and process for the preparation thereof | Bristol-Myers Squibb Company (US) | 1993-04-28 | — | — | EP | disclosed |
| US-5198560-A | Antitumor agents based on esperamicin antibiotics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-03-30 | — | — | US | disclosed |
| EP-0454146-A1 | Cytotoxic bicyclo[7.3.1] tridec-4-ene-2,6-diyne compounds and process for the preparation thereof | Bristol-Myers Squibb Company (US) | 1991-10-30 | — | — | EP | disclosed |